Zinc in PDB 8rxb: Human UPF1 Ch Domain in Complex with SMG6 Peptide
Enzymatic activity of Human UPF1 Ch Domain in Complex with SMG6 Peptide
All present enzymatic activity of Human UPF1 Ch Domain in Complex with SMG6 Peptide:
3.6.4.12;
3.6.4.13;
Protein crystallography data
The structure of Human UPF1 Ch Domain in Complex with SMG6 Peptide, PDB code: 8rxb
was solved by
L.Langer,
J.Basquin,
E.Conti,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
43.44 /
2.60
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
87.165,
90.677,
92.291,
90,
113.36,
90
|
R / Rfree (%)
|
28.1 /
29.5
|
Zinc Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
13;
Binding sites:
The binding sites of Zinc atom in the Human UPF1 Ch Domain in Complex with SMG6 Peptide
(pdb code 8rxb). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 13 binding sites of Zinc where determined in the
Human UPF1 Ch Domain in Complex with SMG6 Peptide, PDB code: 8rxb:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Zinc binding site 1 out
of 13 in 8rxb
Go back to
Zinc Binding Sites List in 8rxb
Zinc binding site 1 out
of 13 in the Human UPF1 Ch Domain in Complex with SMG6 Peptide
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Human UPF1 Ch Domain in Complex with SMG6 Peptide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Zn201
b:45.8
occ:1.00
|
HD1
|
E:HIS41
|
1.3
|
19.7
|
1.0
|
HG
|
E:CYS12
|
1.9
|
192.0
|
1.0
|
ND1
|
E:HIS41
|
2.1
|
31.2
|
1.0
|
SG
|
E:CYS31
|
2.3
|
41.6
|
1.0
|
SG
|
E:CYS9
|
2.3
|
38.6
|
1.0
|
SG
|
E:CYS12
|
2.3
|
171.4
|
1.0
|
HG
|
E:CYS9
|
2.4
|
24.2
|
1.0
|
HG
|
E:CYS31
|
2.8
|
39.2
|
1.0
|
CE1
|
E:HIS41
|
3.0
|
62.6
|
1.0
|
HB3
|
E:CYS9
|
3.1
|
32.7
|
1.0
|
CG
|
E:HIS41
|
3.1
|
48.5
|
1.0
|
HB2
|
E:HIS41
|
3.1
|
18.8
|
1.0
|
CB
|
E:CYS9
|
3.2
|
45.5
|
1.0
|
HE1
|
E:HIS41
|
3.2
|
57.4
|
1.0
|
H
|
E:CYS31
|
3.2
|
29.9
|
1.0
|
HB2
|
E:CYS9
|
3.3
|
32.7
|
1.0
|
HB3
|
E:CYS31
|
3.3
|
39.5
|
1.0
|
HE22
|
E:GLN137
|
3.4
|
45.6
|
1.0
|
CB
|
E:CYS31
|
3.4
|
41.8
|
1.0
|
HB2
|
E:TYR11
|
3.5
|
44.1
|
1.0
|
H
|
E:CYS12
|
3.5
|
43.6
|
1.0
|
CB
|
E:HIS41
|
3.5
|
30.4
|
1.0
|
HB3
|
E:CYS12
|
3.5
|
48.9
|
1.0
|
HB3
|
E:HIS41
|
3.6
|
18.8
|
1.0
|
CB
|
E:CYS12
|
3.6
|
52.4
|
1.0
|
HB
|
E:ILE14
|
3.9
|
42.8
|
1.0
|
N
|
E:CYS31
|
3.9
|
33.8
|
1.0
|
N
|
E:CYS12
|
4.0
|
48.0
|
1.0
|
HD11
|
E:ILE14
|
4.1
|
47.5
|
1.0
|
NE2
|
E:GLN137
|
4.2
|
55.2
|
1.0
|
NE2
|
E:HIS41
|
4.2
|
49.5
|
1.0
|
CA
|
E:CYS31
|
4.2
|
35.1
|
1.0
|
HB2
|
E:CYS31
|
4.2
|
39.5
|
1.0
|
CD2
|
E:HIS41
|
4.2
|
39.6
|
1.0
|
HE21
|
E:GLN137
|
4.3
|
45.6
|
1.0
|
HB2
|
E:CYS12
|
4.3
|
48.9
|
1.0
|
H
|
E:ILE14
|
4.3
|
36.5
|
1.0
|
CA
|
E:CYS12
|
4.4
|
50.2
|
1.0
|
CB
|
E:TYR11
|
4.4
|
54.6
|
1.0
|
H
|
E:TYR11
|
4.4
|
38.7
|
1.0
|
HD2
|
E:TYR11
|
4.5
|
37.2
|
1.0
|
H
|
E:GLY13
|
4.6
|
45.5
|
1.0
|
H
|
E:GLY33
|
4.6
|
44.6
|
1.0
|
CA
|
E:CYS9
|
4.6
|
57.9
|
1.0
|
HB3
|
E:TYR11
|
4.6
|
44.1
|
1.0
|
C
|
E:CYS31
|
4.6
|
31.4
|
1.0
|
O
|
E:CYS31
|
4.7
|
31.2
|
1.0
|
HA
|
E:PHE30
|
4.8
|
22.5
|
1.0
|
H
|
E:HIS41
|
4.9
|
33.6
|
1.0
|
CB
|
E:ILE14
|
4.9
|
46.3
|
1.0
|
C
|
E:CYS12
|
4.9
|
46.0
|
1.0
|
C
|
E:TYR11
|
4.9
|
69.0
|
1.0
|
HA
|
E:CYS9
|
4.9
|
47.5
|
1.0
|
N
|
E:GLY13
|
4.9
|
50.4
|
1.0
|
CD1
|
E:ILE14
|
5.0
|
50.3
|
1.0
|
CA
|
E:HIS41
|
5.0
|
37.1
|
1.0
|
|
Zinc binding site 2 out
of 13 in 8rxb
Go back to
Zinc Binding Sites List in 8rxb
Zinc binding site 2 out
of 13 in the Human UPF1 Ch Domain in Complex with SMG6 Peptide
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Human UPF1 Ch Domain in Complex with SMG6 Peptide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Zn202
b:49.3
occ:1.00
|
HG
|
E:CYS69
|
1.3
|
89.8
|
1.0
|
HG
|
E:CYS72
|
1.4
|
33.3
|
1.0
|
HG
|
E:CYS99
|
2.0
|
40.7
|
1.0
|
SG
|
E:CYS99
|
2.3
|
46.5
|
1.0
|
SG
|
E:CYS72
|
2.3
|
42.4
|
1.0
|
SG
|
E:CYS69
|
2.3
|
84.8
|
1.0
|
SG
|
E:CYS95
|
2.3
|
36.2
|
1.0
|
HG
|
E:CYS95
|
2.4
|
35.5
|
1.0
|
HB2
|
E:CYS95
|
2.9
|
39.6
|
1.0
|
H
|
E:CYS95
|
3.0
|
32.0
|
1.0
|
HB3
|
E:CYS69
|
3.0
|
43.7
|
1.0
|
HB2
|
E:CYS69
|
3.0
|
43.7
|
1.0
|
CB
|
E:CYS69
|
3.0
|
46.3
|
1.0
|
H
|
E:CYS72
|
3.1
|
29.8
|
1.0
|
CB
|
E:CYS95
|
3.2
|
39.8
|
1.0
|
HB2
|
E:CYS99
|
3.3
|
31.4
|
1.0
|
HB3
|
E:CYS72
|
3.4
|
36.9
|
1.0
|
HZ2
|
A:LYS52
|
3.4
|
42.7
|
1.0
|
CB
|
E:CYS99
|
3.4
|
38.6
|
1.0
|
CB
|
E:CYS72
|
3.5
|
45.5
|
1.0
|
HB3
|
E:ASN71
|
3.6
|
48.7
|
1.0
|
HB3
|
E:CYS74
|
3.7
|
50.7
|
1.0
|
HB3
|
E:CYS99
|
3.7
|
31.4
|
1.0
|
N
|
E:CYS95
|
3.7
|
33.1
|
1.0
|
N
|
E:CYS72
|
3.8
|
39.4
|
1.0
|
HB3
|
E:CYS95
|
3.9
|
39.6
|
1.0
|
H
|
E:CYS74
|
4.0
|
24.7
|
1.0
|
HB2
|
E:CYS74
|
4.0
|
50.7
|
1.0
|
CA
|
E:CYS95
|
4.1
|
34.2
|
1.0
|
CA
|
E:CYS72
|
4.2
|
36.5
|
1.0
|
HD2
|
E:PRO98
|
4.2
|
43.9
|
1.0
|
HD22
|
E:ASN71
|
4.2
|
36.3
|
1.0
|
NZ
|
A:LYS52
|
4.3
|
44.5
|
1.0
|
HB2
|
E:CYS72
|
4.3
|
36.9
|
1.0
|
H
|
E:CYS99
|
4.3
|
39.8
|
1.0
|
H
|
E:ASN71
|
4.3
|
43.3
|
1.0
|
CB
|
E:CYS74
|
4.3
|
58.0
|
1.0
|
HE2
|
A:LYS52
|
4.4
|
60.8
|
1.0
|
H
|
E:GLY73
|
4.5
|
31.4
|
1.0
|
CA
|
E:CYS69
|
4.5
|
33.9
|
1.0
|
HA
|
E:LEU94
|
4.5
|
36.1
|
1.0
|
CB
|
E:ASN71
|
4.5
|
58.4
|
1.0
|
HZ3
|
A:LYS52
|
4.6
|
42.7
|
1.0
|
HA
|
E:CYS95
|
4.6
|
33.1
|
1.0
|
CA
|
E:CYS99
|
4.7
|
41.4
|
1.0
|
CE
|
A:LYS52
|
4.8
|
59.4
|
1.0
|
HE3
|
A:LYS52
|
4.8
|
60.8
|
1.0
|
N
|
E:CYS74
|
4.8
|
36.2
|
1.0
|
HZ1
|
A:LYS52
|
4.8
|
42.7
|
1.0
|
C
|
E:CYS72
|
4.8
|
44.0
|
1.0
|
C
|
E:ASN71
|
4.8
|
55.9
|
1.0
|
N
|
E:GLY73
|
4.8
|
41.1
|
1.0
|
HA
|
E:CYS69
|
4.8
|
29.0
|
1.0
|
HD23
|
E:LEU94
|
4.8
|
47.9
|
1.0
|
N
|
E:CYS99
|
4.9
|
45.9
|
1.0
|
N
|
E:ASN71
|
4.9
|
53.5
|
1.0
|
C
|
E:LEU94
|
4.9
|
44.5
|
1.0
|
HD22
|
E:LEU80
|
4.9
|
32.6
|
1.0
|
ND2
|
E:ASN71
|
5.0
|
48.3
|
1.0
|
CA
|
E:ASN71
|
5.0
|
42.2
|
1.0
|
|
Zinc binding site 3 out
of 13 in 8rxb
Go back to
Zinc Binding Sites List in 8rxb
Zinc binding site 3 out
of 13 in the Human UPF1 Ch Domain in Complex with SMG6 Peptide
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Human UPF1 Ch Domain in Complex with SMG6 Peptide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Zn203
b:76.8
occ:1.00
|
HB2
|
E:ASN76
|
3.0
|
55.8
|
1.0
|
HG
|
A:CYS74
|
3.1
|
33.4
|
1.0
|
HG
|
E:CYS74
|
3.1
|
42.1
|
1.0
|
HD22
|
E:ASN76
|
3.2
|
39.5
|
1.0
|
HD22
|
A:ASN76
|
3.4
|
30.4
|
1.0
|
HB2
|
A:ASN76
|
3.4
|
41.0
|
1.0
|
CB
|
E:ASN76
|
3.9
|
58.1
|
1.0
|
ND2
|
E:ASN76
|
4.0
|
44.8
|
1.0
|
HB3
|
E:ASN76
|
4.0
|
55.8
|
1.0
|
SG
|
E:CYS74
|
4.1
|
50.9
|
1.0
|
SG
|
A:CYS74
|
4.1
|
41.5
|
1.0
|
ND2
|
A:ASN76
|
4.2
|
37.1
|
1.0
|
CB
|
A:ASN76
|
4.2
|
46.2
|
1.0
|
HB3
|
A:ASN76
|
4.3
|
41.0
|
1.0
|
CG
|
E:ASN76
|
4.5
|
45.4
|
1.0
|
H
|
E:ASN76
|
4.6
|
40.4
|
1.0
|
HD21
|
E:ASN76
|
4.7
|
39.5
|
1.0
|
H
|
E:ARG75
|
4.7
|
34.9
|
1.0
|
CG
|
A:ASN76
|
4.8
|
40.8
|
1.0
|
HD21
|
A:ASN76
|
4.8
|
30.4
|
1.0
|
N
|
E:ASN76
|
4.9
|
45.0
|
1.0
|
CA
|
E:ASN76
|
4.9
|
43.5
|
1.0
|
H
|
A:ASN76
|
5.0
|
37.9
|
1.0
|
|
Zinc binding site 4 out
of 13 in 8rxb
Go back to
Zinc Binding Sites List in 8rxb
Zinc binding site 4 out
of 13 in the Human UPF1 Ch Domain in Complex with SMG6 Peptide
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Human UPF1 Ch Domain in Complex with SMG6 Peptide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn201
b:42.7
occ:1.00
|
HD1
|
A:HIS41
|
1.2
|
31.3
|
1.0
|
HG
|
A:CYS9
|
1.7
|
19.7
|
1.0
|
ND1
|
A:HIS41
|
2.1
|
35.7
|
1.0
|
SG
|
A:CYS9
|
2.3
|
35.4
|
1.0
|
SG
|
A:CYS31
|
2.3
|
41.1
|
1.0
|
SG
|
A:CYS12
|
2.3
|
45.7
|
1.0
|
HG
|
A:CYS12
|
2.6
|
42.1
|
1.0
|
HG
|
A:CYS31
|
2.7
|
29.9
|
1.0
|
CE1
|
A:HIS41
|
2.9
|
46.5
|
1.0
|
HE1
|
A:HIS41
|
3.0
|
44.1
|
1.0
|
CB
|
A:CYS9
|
3.1
|
54.7
|
1.0
|
HB2
|
A:CYS9
|
3.1
|
42.3
|
1.0
|
HB3
|
A:CYS9
|
3.1
|
42.3
|
1.0
|
HB3
|
A:CYS31
|
3.1
|
43.8
|
1.0
|
CG
|
A:HIS41
|
3.2
|
59.1
|
1.0
|
H
|
A:CYS31
|
3.2
|
36.7
|
1.0
|
HB2
|
A:HIS41
|
3.3
|
31.4
|
1.0
|
CB
|
A:CYS31
|
3.3
|
52.8
|
1.0
|
H
|
A:CYS12
|
3.4
|
48.4
|
1.0
|
HB3
|
A:CYS12
|
3.5
|
39.5
|
1.0
|
HB2
|
A:TYR11
|
3.5
|
38.9
|
1.0
|
CB
|
A:CYS12
|
3.5
|
43.5
|
1.0
|
CB
|
A:HIS41
|
3.6
|
35.2
|
1.0
|
HD11
|
A:ILE14
|
3.8
|
47.4
|
1.0
|
HB3
|
A:HIS41
|
3.8
|
31.4
|
1.0
|
HB
|
A:ILE14
|
3.9
|
47.8
|
1.0
|
N
|
A:CYS12
|
3.9
|
50.6
|
1.0
|
N
|
A:CYS31
|
4.0
|
46.4
|
1.0
|
NE2
|
A:HIS41
|
4.1
|
34.7
|
1.0
|
HB2
|
A:CYS31
|
4.1
|
43.8
|
1.0
|
CA
|
A:CYS31
|
4.2
|
46.1
|
1.0
|
CD2
|
A:HIS41
|
4.2
|
36.4
|
1.0
|
CA
|
A:CYS12
|
4.3
|
59.5
|
1.0
|
HB2
|
A:CYS12
|
4.3
|
39.5
|
1.0
|
H
|
A:ILE14
|
4.4
|
50.0
|
1.0
|
CB
|
A:TYR11
|
4.4
|
43.4
|
1.0
|
H
|
A:TYR11
|
4.5
|
42.7
|
1.0
|
CA
|
A:CYS9
|
4.5
|
58.4
|
1.0
|
H
|
A:GLY13
|
4.5
|
54.5
|
1.0
|
HB3
|
A:TYR11
|
4.6
|
38.9
|
1.0
|
H
|
A:GLY33
|
4.7
|
36.2
|
1.0
|
CD1
|
A:ILE14
|
4.7
|
53.3
|
1.0
|
C
|
A:CYS31
|
4.7
|
40.8
|
1.0
|
HA
|
A:CYS9
|
4.8
|
46.8
|
1.0
|
HD2
|
A:TYR11
|
4.8
|
45.4
|
1.0
|
HA
|
A:PHE30
|
4.8
|
33.7
|
1.0
|
O
|
A:CYS31
|
4.8
|
38.8
|
1.0
|
CB
|
A:ILE14
|
4.8
|
53.6
|
1.0
|
C
|
A:CYS12
|
4.9
|
60.1
|
1.0
|
HG13
|
A:ILE14
|
4.9
|
54.0
|
1.0
|
C
|
A:TYR11
|
4.9
|
59.2
|
1.0
|
O
|
A:GLY33
|
4.9
|
36.6
|
1.0
|
H
|
A:HIS41
|
4.9
|
40.7
|
1.0
|
N
|
A:GLY13
|
4.9
|
56.5
|
1.0
|
|
Zinc binding site 5 out
of 13 in 8rxb
Go back to
Zinc Binding Sites List in 8rxb
Zinc binding site 5 out
of 13 in the Human UPF1 Ch Domain in Complex with SMG6 Peptide
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Human UPF1 Ch Domain in Complex with SMG6 Peptide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn202
b:52.1
occ:1.00
|
HG
|
A:CYS69
|
1.3
|
45.1
|
1.0
|
HG
|
A:CYS72
|
2.2
|
24.1
|
1.0
|
SG
|
A:CYS99
|
2.3
|
51.9
|
1.0
|
SG
|
A:CYS95
|
2.3
|
51.6
|
1.0
|
SG
|
A:CYS72
|
2.3
|
39.1
|
1.0
|
SG
|
A:CYS69
|
2.3
|
52.0
|
1.0
|
HG
|
A:CYS95
|
2.5
|
47.3
|
1.0
|
HG
|
A:CYS99
|
2.5
|
46.8
|
1.0
|
HB2
|
A:CYS95
|
2.9
|
37.0
|
1.0
|
H
|
A:CYS95
|
2.9
|
28.7
|
1.0
|
HB3
|
A:CYS69
|
3.0
|
40.9
|
1.0
|
HB2
|
A:CYS69
|
3.0
|
40.9
|
1.0
|
CB
|
A:CYS69
|
3.0
|
48.5
|
1.0
|
H
|
A:CYS72
|
3.1
|
47.2
|
1.0
|
CB
|
A:CYS95
|
3.2
|
43.1
|
1.0
|
HB2
|
A:CYS99
|
3.3
|
34.3
|
1.0
|
HB3
|
A:CYS72
|
3.4
|
50.4
|
1.0
|
CB
|
A:CYS99
|
3.4
|
41.7
|
1.0
|
HB3
|
A:ASN71
|
3.4
|
60.0
|
1.0
|
CB
|
A:CYS72
|
3.5
|
61.0
|
1.0
|
HB3
|
A:CYS99
|
3.7
|
34.3
|
1.0
|
N
|
A:CYS95
|
3.7
|
36.6
|
1.0
|
N
|
A:CYS72
|
3.8
|
58.8
|
1.0
|
HD21
|
A:ASN71
|
3.8
|
47.4
|
1.0
|
HB3
|
A:CYS74
|
3.9
|
28.8
|
1.0
|
HB3
|
A:CYS95
|
3.9
|
37.0
|
1.0
|
HZ2
|
E:LYS52
|
4.0
|
74.0
|
1.0
|
CA
|
A:CYS95
|
4.0
|
36.8
|
1.0
|
H
|
A:CYS74
|
4.1
|
34.5
|
1.0
|
HB2
|
A:CYS74
|
4.1
|
28.8
|
1.0
|
CA
|
A:CYS72
|
4.2
|
61.2
|
1.0
|
HE3
|
E:LYS52
|
4.2
|
61.1
|
1.0
|
HB2
|
A:CYS72
|
4.3
|
50.4
|
1.0
|
H
|
A:ASN71
|
4.3
|
52.1
|
1.0
|
HD2
|
A:PRO98
|
4.3
|
35.2
|
1.0
|
HZ1
|
E:LYS52
|
4.3
|
74.0
|
1.0
|
H
|
A:CYS99
|
4.3
|
51.9
|
1.0
|
CB
|
A:ASN71
|
4.4
|
61.3
|
1.0
|
CB
|
A:CYS74
|
4.5
|
37.7
|
1.0
|
HA
|
A:LEU94
|
4.5
|
33.5
|
1.0
|
H
|
A:GLY73
|
4.5
|
61.5
|
1.0
|
CA
|
A:CYS69
|
4.5
|
56.1
|
1.0
|
NZ
|
E:LYS52
|
4.5
|
72.7
|
1.0
|
HA
|
A:CYS95
|
4.6
|
29.1
|
1.0
|
ND2
|
A:ASN71
|
4.7
|
50.3
|
1.0
|
C
|
A:ASN71
|
4.8
|
64.0
|
1.0
|
CA
|
A:CYS99
|
4.8
|
46.0
|
1.0
|
CE
|
E:LYS52
|
4.8
|
62.0
|
1.0
|
C
|
A:CYS72
|
4.8
|
57.9
|
1.0
|
HA
|
A:CYS69
|
4.8
|
49.7
|
1.0
|
N
|
A:GLY73
|
4.8
|
60.8
|
1.0
|
N
|
A:CYS74
|
4.9
|
42.8
|
1.0
|
C
|
A:LEU94
|
4.9
|
44.3
|
1.0
|
HB2
|
A:ASN71
|
4.9
|
60.0
|
1.0
|
N
|
A:ASN71
|
4.9
|
55.0
|
1.0
|
N
|
A:CYS99
|
4.9
|
56.0
|
1.0
|
CA
|
A:ASN71
|
4.9
|
59.5
|
1.0
|
HD23
|
A:LEU94
|
5.0
|
32.2
|
1.0
|
HE2
|
E:LYS52
|
5.0
|
61.1
|
1.0
|
|
Zinc binding site 6 out
of 13 in 8rxb
Go back to
Zinc Binding Sites List in 8rxb
Zinc binding site 6 out
of 13 in the Human UPF1 Ch Domain in Complex with SMG6 Peptide
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of Human UPF1 Ch Domain in Complex with SMG6 Peptide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn201
b:61.9
occ:1.00
|
HD1
|
D:HIS41
|
1.2
|
35.1
|
1.0
|
HG
|
D:CYS12
|
1.4
|
64.8
|
1.0
|
ND1
|
D:HIS41
|
2.0
|
46.8
|
1.0
|
SG
|
D:CYS12
|
2.3
|
72.1
|
1.0
|
SG
|
D:CYS31
|
2.3
|
62.2
|
1.0
|
SG
|
D:CYS9
|
2.3
|
58.4
|
1.0
|
CE1
|
D:HIS41
|
2.8
|
69.9
|
1.0
|
HE1
|
D:HIS41
|
2.9
|
62.5
|
1.0
|
HG
|
D:CYS31
|
3.0
|
57.0
|
1.0
|
HB3
|
D:CYS9
|
3.1
|
53.6
|
1.0
|
CB
|
D:CYS9
|
3.1
|
63.1
|
1.0
|
CG
|
D:HIS41
|
3.1
|
69.3
|
1.0
|
HB2
|
D:CYS9
|
3.1
|
53.6
|
1.0
|
H
|
D:CYS31
|
3.2
|
50.9
|
1.0
|
HB3
|
D:CYS31
|
3.3
|
56.2
|
1.0
|
HG
|
D:CYS9
|
3.3
|
47.8
|
1.0
|
HB2
|
D:HIS41
|
3.3
|
65.5
|
1.0
|
H
|
D:CYS12
|
3.4
|
56.8
|
1.0
|
CB
|
D:CYS31
|
3.4
|
61.2
|
1.0
|
HB2
|
D:TYR11
|
3.5
|
60.1
|
1.0
|
CB
|
D:HIS41
|
3.6
|
71.8
|
1.0
|
HD13
|
D:ILE14
|
3.7
|
63.3
|
1.0
|
HB3
|
D:HIS41
|
3.7
|
65.5
|
1.0
|
CB
|
D:CYS12
|
3.7
|
71.8
|
1.0
|
HD11
|
D:ILE14
|
3.8
|
63.3
|
1.0
|
HB3
|
D:CYS12
|
3.8
|
64.0
|
1.0
|
N
|
D:CYS31
|
4.0
|
56.6
|
1.0
|
N
|
D:CYS12
|
4.0
|
65.7
|
1.0
|
NE2
|
D:HIS41
|
4.0
|
62.3
|
1.0
|
CD2
|
D:HIS41
|
4.2
|
61.3
|
1.0
|
HB2
|
D:CYS31
|
4.2
|
56.2
|
1.0
|
HB
|
D:ILE14
|
4.2
|
72.6
|
1.0
|
CD1
|
D:ILE14
|
4.2
|
69.6
|
1.0
|
CA
|
D:CYS31
|
4.2
|
62.7
|
1.0
|
H
|
D:ILE14
|
4.3
|
51.5
|
1.0
|
H
|
D:GLY13
|
4.4
|
62.3
|
1.0
|
CA
|
D:CYS12
|
4.4
|
73.5
|
1.0
|
H
|
D:TYR11
|
4.4
|
51.1
|
1.0
|
HB2
|
D:CYS12
|
4.5
|
64.0
|
1.0
|
CB
|
D:TYR11
|
4.5
|
69.7
|
1.0
|
CA
|
D:CYS9
|
4.6
|
61.1
|
1.0
|
C
|
D:CYS31
|
4.7
|
60.7
|
1.0
|
HB3
|
D:TYR11
|
4.8
|
60.1
|
1.0
|
O
|
D:CYS31
|
4.8
|
62.0
|
1.0
|
H
|
D:GLY33
|
4.8
|
63.5
|
1.0
|
N
|
D:GLY13
|
4.8
|
61.8
|
1.0
|
HA
|
D:PHE30
|
4.8
|
49.0
|
1.0
|
HD12
|
D:ILE14
|
4.8
|
63.3
|
1.0
|
HD2
|
D:TYR11
|
4.8
|
59.8
|
1.0
|
C
|
D:CYS12
|
4.8
|
69.7
|
1.0
|
HA
|
D:CYS9
|
4.9
|
51.2
|
1.0
|
C
|
D:TYR11
|
4.9
|
80.1
|
1.0
|
H
|
D:HIS41
|
5.0
|
55.9
|
1.0
|
|
Zinc binding site 7 out
of 13 in 8rxb
Go back to
Zinc Binding Sites List in 8rxb
Zinc binding site 7 out
of 13 in the Human UPF1 Ch Domain in Complex with SMG6 Peptide
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of Human UPF1 Ch Domain in Complex with SMG6 Peptide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn202
b:44.6
occ:1.00
|
HG
|
D:CYS69
|
1.2
|
37.2
|
1.0
|
HG
|
D:CYS72
|
2.0
|
31.0
|
1.0
|
SG
|
D:CYS99
|
2.3
|
44.5
|
1.0
|
HG
|
D:CYS99
|
2.3
|
51.2
|
1.0
|
SG
|
D:CYS69
|
2.3
|
43.9
|
1.0
|
SG
|
D:CYS72
|
2.3
|
41.6
|
1.0
|
SG
|
D:CYS95
|
2.3
|
53.4
|
1.0
|
HG
|
D:CYS95
|
2.6
|
54.1
|
1.0
|
H
|
D:CYS95
|
2.9
|
34.5
|
1.0
|
HB2
|
D:CYS95
|
2.9
|
49.8
|
1.0
|
HB2
|
D:CYS69
|
3.0
|
40.9
|
1.0
|
H
|
D:CYS72
|
3.0
|
45.9
|
1.0
|
HB3
|
D:CYS69
|
3.0
|
40.9
|
1.0
|
CB
|
D:CYS69
|
3.0
|
47.0
|
1.0
|
HB2
|
D:CYS99
|
3.2
|
39.2
|
1.0
|
CB
|
D:CYS95
|
3.2
|
49.8
|
1.0
|
CB
|
D:CYS99
|
3.3
|
34.5
|
1.0
|
HB3
|
D:CYS72
|
3.4
|
52.0
|
1.0
|
CB
|
D:CYS72
|
3.5
|
59.0
|
1.0
|
HB3
|
D:ASN71
|
3.5
|
44.2
|
1.0
|
HB3
|
D:CYS99
|
3.6
|
39.2
|
1.0
|
N
|
D:CYS72
|
3.7
|
53.6
|
1.0
|
N
|
D:CYS95
|
3.7
|
36.9
|
1.0
|
HB3
|
D:CYS74
|
3.8
|
60.9
|
1.0
|
HZ2
|
L:LYS52
|
3.9
|
64.9
|
1.0
|
HB3
|
D:CYS95
|
4.0
|
49.8
|
1.0
|
H
|
D:CYS74
|
4.0
|
42.8
|
1.0
|
CA
|
D:CYS95
|
4.1
|
38.1
|
1.0
|
CA
|
D:CYS72
|
4.1
|
57.7
|
1.0
|
HB2
|
D:CYS74
|
4.1
|
60.9
|
1.0
|
H
|
D:CYS99
|
4.2
|
49.2
|
1.0
|
H
|
D:ASN71
|
4.2
|
64.8
|
1.0
|
HD2
|
D:PRO98
|
4.2
|
50.7
|
1.0
|
HB2
|
D:CYS72
|
4.3
|
52.0
|
1.0
|
H
|
D:GLY73
|
4.4
|
40.2
|
1.0
|
HE2
|
L:LYS52
|
4.4
|
80.4
|
1.0
|
HA
|
D:LEU94
|
4.4
|
35.5
|
1.0
|
CB
|
D:CYS74
|
4.5
|
57.5
|
1.0
|
CB
|
D:ASN71
|
4.5
|
42.9
|
1.0
|
CA
|
D:CYS69
|
4.5
|
48.3
|
1.0
|
NZ
|
L:LYS52
|
4.6
|
62.4
|
1.0
|
HA
|
D:CYS95
|
4.6
|
35.8
|
1.0
|
CA
|
D:CYS99
|
4.6
|
39.8
|
1.0
|
HE3
|
L:LYS52
|
4.7
|
80.4
|
1.0
|
HZ3
|
L:LYS52
|
4.7
|
64.9
|
1.0
|
C
|
D:ASN71
|
4.7
|
56.7
|
1.0
|
C
|
D:CYS72
|
4.7
|
43.1
|
1.0
|
N
|
D:GLY73
|
4.7
|
43.8
|
1.0
|
N
|
D:CYS99
|
4.8
|
42.9
|
1.0
|
N
|
D:CYS74
|
4.8
|
42.1
|
1.0
|
CE
|
L:LYS52
|
4.8
|
75.5
|
1.0
|
HA
|
D:CYS69
|
4.8
|
42.5
|
1.0
|
N
|
D:ASN71
|
4.8
|
60.1
|
1.0
|
C
|
D:LEU94
|
4.8
|
50.6
|
1.0
|
HB2
|
D:ASN71
|
4.9
|
44.2
|
1.0
|
CA
|
D:ASN71
|
4.9
|
47.6
|
1.0
|
HA
|
D:CYS72
|
5.0
|
50.6
|
1.0
|
|
Zinc binding site 8 out
of 13 in 8rxb
Go back to
Zinc Binding Sites List in 8rxb
Zinc binding site 8 out
of 13 in the Human UPF1 Ch Domain in Complex with SMG6 Peptide
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 8 of Human UPF1 Ch Domain in Complex with SMG6 Peptide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Zn201
b:50.5
occ:1.00
|
HD1
|
I:HIS41
|
1.2
|
40.2
|
1.0
|
ND1
|
I:HIS41
|
2.1
|
44.7
|
1.0
|
SG
|
I:CYS9
|
2.3
|
39.5
|
1.0
|
SG
|
I:CYS31
|
2.3
|
48.9
|
1.0
|
SG
|
I:CYS12
|
2.3
|
61.1
|
1.0
|
HG
|
I:CYS12
|
2.6
|
67.5
|
1.0
|
CE1
|
I:HIS41
|
2.9
|
42.7
|
1.0
|
HE1
|
I:HIS41
|
3.0
|
37.8
|
1.0
|
HG
|
I:CYS31
|
3.0
|
47.0
|
1.0
|
HB3
|
I:CYS9
|
3.2
|
39.5
|
1.0
|
CB
|
I:CYS9
|
3.2
|
41.0
|
1.0
|
CG
|
I:HIS41
|
3.2
|
58.2
|
1.0
|
H
|
I:CYS31
|
3.3
|
53.7
|
1.0
|
HB2
|
I:CYS9
|
3.3
|
39.5
|
1.0
|
HG
|
I:CYS9
|
3.3
|
37.5
|
1.0
|
HB2
|
I:HIS41
|
3.4
|
34.3
|
1.0
|
HB3
|
I:CYS31
|
3.5
|
39.4
|
1.0
|
H
|
I:CYS12
|
3.5
|
52.2
|
1.0
|
HB2
|
I:TYR11
|
3.5
|
49.9
|
1.0
|
CB
|
I:CYS31
|
3.5
|
42.4
|
1.0
|
CB
|
I:HIS41
|
3.7
|
39.7
|
1.0
|
HB3
|
I:HIS41
|
3.7
|
34.3
|
1.0
|
CB
|
I:CYS12
|
3.8
|
37.9
|
1.0
|
HB3
|
I:CYS12
|
3.9
|
39.3
|
1.0
|
N
|
I:CYS31
|
4.0
|
54.6
|
1.0
|
N
|
I:CYS12
|
4.1
|
49.0
|
1.0
|
NE2
|
I:HIS41
|
4.1
|
37.8
|
1.0
|
CD2
|
I:HIS41
|
4.3
|
44.0
|
1.0
|
HB2
|
I:CYS31
|
4.3
|
39.4
|
1.0
|
CA
|
I:CYS31
|
4.3
|
50.9
|
1.0
|
H
|
I:GLY13
|
4.4
|
50.4
|
1.0
|
CB
|
I:TYR11
|
4.4
|
50.2
|
1.0
|
H
|
I:TYR11
|
4.4
|
48.5
|
1.0
|
CA
|
I:CYS12
|
4.4
|
50.2
|
1.0
|
HD11
|
I:ILE14
|
4.4
|
53.7
|
1.0
|
H
|
I:ILE14
|
4.5
|
57.7
|
1.0
|
HB
|
I:ILE14
|
4.5
|
65.0
|
1.0
|
HB2
|
I:CYS12
|
4.5
|
39.3
|
1.0
|
HB3
|
I:TYR11
|
4.6
|
49.9
|
1.0
|
CA
|
I:CYS9
|
4.7
|
52.3
|
1.0
|
HD2
|
I:TYR11
|
4.7
|
54.5
|
1.0
|
HA
|
I:PHE30
|
4.8
|
36.7
|
1.0
|
O
|
I:CYS31
|
4.8
|
45.4
|
1.0
|
C
|
I:CYS31
|
4.8
|
36.8
|
1.0
|
N
|
I:GLY13
|
4.8
|
52.1
|
1.0
|
H
|
I:GLY33
|
4.9
|
44.6
|
1.0
|
C
|
I:CYS12
|
4.9
|
51.0
|
1.0
|
C
|
I:TYR11
|
5.0
|
61.6
|
1.0
|
HA
|
I:CYS9
|
5.0
|
52.8
|
1.0
|
|
Zinc binding site 9 out
of 13 in 8rxb
Go back to
Zinc Binding Sites List in 8rxb
Zinc binding site 9 out
of 13 in the Human UPF1 Ch Domain in Complex with SMG6 Peptide
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 9 of Human UPF1 Ch Domain in Complex with SMG6 Peptide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Zn202
b:47.9
occ:1.00
|
HG
|
I:CYS69
|
1.5
|
35.0
|
1.0
|
SG
|
I:CYS99
|
2.3
|
57.3
|
1.0
|
HG
|
I:CYS72
|
2.3
|
24.7
|
1.0
|
SG
|
I:CYS72
|
2.3
|
43.6
|
1.0
|
SG
|
I:CYS95
|
2.3
|
49.8
|
1.0
|
SG
|
I:CYS69
|
2.4
|
41.2
|
1.0
|
HG
|
I:CYS99
|
2.4
|
53.9
|
1.0
|
HG
|
I:CYS95
|
2.4
|
47.9
|
1.0
|
H
|
I:CYS95
|
3.0
|
28.3
|
1.0
|
HB2
|
I:CYS69
|
3.0
|
48.5
|
1.0
|
HB3
|
I:CYS69
|
3.0
|
48.5
|
1.0
|
HB2
|
I:CYS95
|
3.0
|
33.8
|
1.0
|
CB
|
I:CYS69
|
3.1
|
52.5
|
1.0
|
H
|
I:CYS72
|
3.2
|
51.2
|
1.0
|
CB
|
I:CYS95
|
3.3
|
38.0
|
1.0
|
HB2
|
I:CYS99
|
3.3
|
38.2
|
1.0
|
HB3
|
I:CYS72
|
3.4
|
58.4
|
1.0
|
CB
|
I:CYS99
|
3.4
|
43.9
|
1.0
|
HB3
|
I:ASN71
|
3.5
|
51.3
|
1.0
|
CB
|
I:CYS72
|
3.5
|
71.8
|
1.0
|
HB3
|
I:CYS99
|
3.7
|
38.2
|
1.0
|
N
|
I:CYS95
|
3.8
|
33.0
|
1.0
|
HB3
|
I:CYS74
|
3.8
|
40.3
|
1.0
|
N
|
I:CYS72
|
3.9
|
65.4
|
1.0
|
HD21
|
I:ASN71
|
4.0
|
39.5
|
1.0
|
HB3
|
I:CYS95
|
4.1
|
33.8
|
1.0
|
H
|
I:CYS74
|
4.1
|
36.1
|
1.0
|
HB2
|
I:CYS74
|
4.2
|
40.3
|
1.0
|
CA
|
I:CYS95
|
4.2
|
36.1
|
1.0
|
CA
|
I:CYS72
|
4.3
|
70.4
|
1.0
|
HB2
|
I:CYS72
|
4.3
|
58.4
|
1.0
|
HD2
|
I:PRO98
|
4.3
|
48.0
|
1.0
|
HA
|
I:LEU94
|
4.4
|
40.7
|
1.0
|
H
|
I:ASN71
|
4.4
|
37.6
|
1.0
|
H
|
I:CYS99
|
4.4
|
42.8
|
1.0
|
CB
|
I:ASN71
|
4.4
|
53.1
|
1.0
|
CB
|
I:CYS74
|
4.5
|
44.7
|
1.0
|
CA
|
I:CYS69
|
4.6
|
54.7
|
1.0
|
H
|
I:GLY73
|
4.6
|
45.9
|
1.0
|
HA
|
I:CYS95
|
4.7
|
31.8
|
1.0
|
HD23
|
I:LEU94
|
4.7
|
30.5
|
1.0
|
CA
|
I:CYS99
|
4.8
|
55.3
|
1.0
|
ND2
|
I:ASN71
|
4.8
|
43.6
|
1.0
|
C
|
I:ASN71
|
4.9
|
61.1
|
1.0
|
HA
|
I:CYS69
|
4.9
|
51.4
|
1.0
|
HB2
|
I:ASN71
|
4.9
|
51.3
|
1.0
|
C
|
I:LEU94
|
4.9
|
41.7
|
1.0
|
C
|
I:CYS72
|
4.9
|
55.9
|
1.0
|
N
|
I:CYS74
|
4.9
|
41.0
|
1.0
|
N
|
I:GLY73
|
5.0
|
48.6
|
1.0
|
N
|
I:ASN71
|
5.0
|
41.5
|
1.0
|
N
|
I:CYS99
|
5.0
|
48.1
|
1.0
|
|
Zinc binding site 10 out
of 13 in 8rxb
Go back to
Zinc Binding Sites List in 8rxb
Zinc binding site 10 out
of 13 in the Human UPF1 Ch Domain in Complex with SMG6 Peptide
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 10 of Human UPF1 Ch Domain in Complex with SMG6 Peptide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Zn201
b:62.3
occ:1.00
|
HD1
|
L:HIS41
|
1.2
|
43.4
|
1.0
|
ND1
|
L:HIS41
|
2.0
|
45.5
|
1.0
|
SG
|
L:CYS31
|
2.3
|
59.7
|
1.0
|
SG
|
L:CYS9
|
2.3
|
46.5
|
1.0
|
SG
|
L:CYS12
|
2.3
|
55.2
|
1.0
|
HG
|
L:CYS12
|
2.6
|
56.1
|
1.0
|
CE1
|
L:HIS41
|
2.8
|
61.4
|
1.0
|
HE1
|
L:HIS41
|
2.9
|
62.5
|
1.0
|
HG
|
L:CYS31
|
2.9
|
51.9
|
1.0
|
HB3
|
L:CYS9
|
3.0
|
40.0
|
1.0
|
CB
|
L:CYS9
|
3.1
|
43.5
|
1.0
|
HB2
|
L:CYS9
|
3.1
|
40.0
|
1.0
|
CG
|
L:HIS41
|
3.1
|
54.0
|
1.0
|
HG
|
L:CYS9
|
3.1
|
43.9
|
1.0
|
HB3
|
L:CYS31
|
3.2
|
46.0
|
1.0
|
HB2
|
L:HIS41
|
3.3
|
48.5
|
1.0
|
H
|
L:CYS31
|
3.3
|
46.6
|
1.0
|
H
|
L:CYS12
|
3.3
|
61.2
|
1.0
|
CB
|
L:CYS31
|
3.4
|
55.1
|
1.0
|
HB2
|
L:TYR11
|
3.5
|
59.1
|
1.0
|
HD11
|
L:ILE14
|
3.5
|
58.8
|
1.0
|
HB3
|
L:CYS12
|
3.5
|
55.4
|
1.0
|
CB
|
L:CYS12
|
3.6
|
54.4
|
1.0
|
CB
|
L:HIS41
|
3.6
|
49.7
|
1.0
|
HB3
|
L:HIS41
|
3.7
|
48.5
|
1.0
|
HB
|
L:ILE14
|
3.8
|
53.8
|
1.0
|
N
|
L:CYS12
|
3.9
|
59.0
|
1.0
|
NE2
|
L:HIS41
|
4.0
|
49.8
|
1.0
|
N
|
L:CYS31
|
4.1
|
55.3
|
1.0
|
HB2
|
L:CYS31
|
4.1
|
46.0
|
1.0
|
CD2
|
L:HIS41
|
4.2
|
49.9
|
1.0
|
H
|
L:ILE14
|
4.2
|
58.4
|
1.0
|
CA
|
L:CYS12
|
4.3
|
59.7
|
1.0
|
CA
|
L:CYS31
|
4.3
|
56.0
|
1.0
|
HB2
|
L:CYS12
|
4.3
|
55.4
|
1.0
|
CB
|
L:TYR11
|
4.4
|
59.9
|
1.0
|
H
|
L:GLY13
|
4.4
|
69.6
|
1.0
|
CD1
|
L:ILE14
|
4.4
|
61.4
|
1.0
|
H
|
L:TYR11
|
4.4
|
49.2
|
1.0
|
CA
|
L:CYS9
|
4.5
|
55.3
|
1.0
|
HB3
|
L:TYR11
|
4.6
|
59.1
|
1.0
|
HG13
|
L:ILE14
|
4.6
|
51.3
|
1.0
|
HD2
|
L:TYR11
|
4.6
|
65.8
|
1.0
|
CB
|
L:ILE14
|
4.7
|
57.4
|
1.0
|
H
|
L:GLY33
|
4.7
|
40.7
|
1.0
|
N
|
L:GLY13
|
4.8
|
63.0
|
1.0
|
C
|
L:CYS12
|
4.8
|
62.4
|
1.0
|
HD12
|
L:ILE14
|
4.8
|
58.8
|
1.0
|
CG1
|
L:ILE14
|
4.8
|
55.2
|
1.0
|
C
|
L:CYS31
|
4.8
|
46.0
|
1.0
|
HA
|
L:CYS9
|
4.9
|
54.0
|
1.0
|
C
|
L:TYR11
|
4.9
|
59.6
|
1.0
|
O
|
L:CYS31
|
4.9
|
47.7
|
1.0
|
HA
|
L:PHE30
|
4.9
|
40.2
|
1.0
|
N
|
L:ILE14
|
5.0
|
61.0
|
1.0
|
O
|
L:GLY33
|
5.0
|
48.2
|
1.0
|
HD13
|
L:ILE14
|
5.0
|
58.8
|
1.0
|
|
Reference:
L.M.Langer,
K.Kurscheidt,
J.Basquin,
F.Bonneau,
I.Iermak,
C.Basquin,
E.Conti.
UPF1 Helicase Orchestrates Mutually Exclusive Interactions with the SMG6 Endonuclease and UPF2. Nucleic Acids Res. 2024.
ISSN: ESSN 1362-4962
PubMed: 38709891
DOI: 10.1093/NAR/GKAE323
Page generated: Thu Oct 31 10:46:36 2024
|