Zinc in PDB 6gzy: Hoip-FRAGMENT5 Complex
Enzymatic activity of Hoip-FRAGMENT5 Complex
All present enzymatic activity of Hoip-FRAGMENT5 Complex:
2.3.2.27;
Protein crystallography data
The structure of Hoip-FRAGMENT5 Complex, PDB code: 6gzy
was solved by
H.Johansson,
Y.C.I.Tsai,
K.Fantom,
C.W.Chung,
L.Martino,
D.House,
K.Rittinger,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
80.69 /
2.15
|
|
Space group
|
P 21 21 2
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
111.202,
117.249,
37.940,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
19.9 /
24.6
|
Other elements in 6gzy:
The structure of Hoip-FRAGMENT5 Complex also contains other interesting chemical elements:
Zinc Binding Sites:
The binding sites of Zinc atom in the Hoip-FRAGMENT5 Complex
(pdb code 6gzy). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the
Hoip-FRAGMENT5 Complex, PDB code: 6gzy:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Zinc binding site 1 out
of 8 in 6gzy
Go back to
Zinc Binding Sites List in 6gzy
Zinc binding site 1 out
of 8 in the Hoip-FRAGMENT5 Complex
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Hoip-FRAGMENT5 Complex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn4002
b:17.7
occ:1.00
|
SG
|
A:CYS893
|
2.2
|
14.6
|
1.0
|
|
SG
|
A:CYS890
|
2.3
|
16.5
|
1.0
|
|
SG
|
A:CYS874
|
2.3
|
15.4
|
1.0
|
|
SG
|
A:CYS871
|
2.4
|
23.0
|
1.0
|
|
HB3
|
A:CYS874
|
2.9
|
21.5
|
1.0
|
|
H
|
A:CYS874
|
3.0
|
24.2
|
1.0
|
|
HB3
|
A:CYS890
|
3.0
|
22.2
|
1.0
|
|
HB3
|
A:CYS871
|
3.0
|
20.8
|
1.0
|
|
CB
|
A:CYS890
|
3.1
|
18.6
|
1.0
|
|
CB
|
A:CYS871
|
3.1
|
17.3
|
1.0
|
|
CB
|
A:CYS874
|
3.2
|
17.9
|
1.0
|
|
HB2
|
A:CYS871
|
3.2
|
20.8
|
1.0
|
|
HB2
|
A:CYS890
|
3.2
|
22.2
|
1.0
|
|
HB3
|
A:CYS893
|
3.2
|
20.4
|
1.0
|
|
H
|
A:CYS893
|
3.3
|
27.7
|
1.0
|
|
CB
|
A:CYS893
|
3.4
|
17.0
|
1.0
|
|
N
|
A:CYS874
|
3.6
|
20.2
|
1.0
|
|
HB2
|
A:GLN892
|
3.7
|
25.0
|
1.0
|
|
HB3
|
A:LYS873
|
3.8
|
30.3
|
1.0
|
|
N
|
A:CYS893
|
3.8
|
23.1
|
1.0
|
|
HB3
|
A:HIS895
|
3.8
|
21.9
|
1.0
|
|
CA
|
A:CYS874
|
3.9
|
22.9
|
1.0
|
|
HB2
|
A:CYS874
|
4.0
|
21.5
|
1.0
|
|
HB2
|
A:CYS893
|
4.1
|
20.4
|
1.0
|
|
CA
|
A:CYS893
|
4.2
|
19.6
|
1.0
|
|
H
|
A:HIS895
|
4.2
|
27.3
|
0.5
|
|
H
|
A:HIS895
|
4.2
|
27.3
|
0.5
|
|
H
|
A:PHE876
|
4.2
|
24.2
|
1.0
|
|
HH
|
A:TYR878
|
4.3
|
27.8
|
1.0
|
|
HB3
|
A:PHE876
|
4.4
|
28.2
|
1.0
|
|
H
|
A:LYS873
|
4.5
|
30.2
|
1.0
|
|
HB2
|
A:HIS895
|
4.5
|
21.9
|
1.0
|
|
H
|
A:LYS875
|
4.5
|
24.5
|
1.0
|
|
H
|
A:GLN892
|
4.5
|
22.9
|
1.0
|
|
HB2
|
A:PHE876
|
4.5
|
28.2
|
1.0
|
|
CA
|
A:CYS890
|
4.6
|
19.7
|
1.0
|
|
CA
|
A:CYS871
|
4.6
|
13.8
|
1.0
|
|
C
|
A:CYS874
|
4.6
|
19.5
|
1.0
|
|
CB
|
A:HIS895
|
4.6
|
18.3
|
1.0
|
|
CB
|
A:GLN892
|
4.6
|
20.8
|
1.0
|
|
CB
|
A:LYS873
|
4.7
|
25.2
|
1.0
|
|
HG2
|
A:LYS873
|
4.7
|
35.4
|
1.0
|
|
C
|
A:LYS873
|
4.7
|
18.9
|
1.0
|
|
HA
|
A:CYS874
|
4.8
|
27.4
|
1.0
|
|
H
|
A:ARG894
|
4.8
|
22.1
|
0.5
|
|
N
|
A:LYS875
|
4.8
|
20.4
|
1.0
|
|
HD3
|
A:LYS873
|
4.8
|
36.8
|
1.0
|
|
H
|
A:ARG894
|
4.8
|
21.8
|
0.5
|
|
C
|
A:CYS893
|
4.8
|
15.8
|
1.0
|
|
C
|
A:GLN892
|
4.8
|
22.7
|
1.0
|
|
CB
|
A:PHE876
|
4.9
|
23.5
|
1.0
|
|
HA
|
A:CYS890
|
4.9
|
23.6
|
1.0
|
|
HA
|
A:CYS871
|
4.9
|
16.5
|
1.0
|
|
HE1
|
A:TYR878
|
4.9
|
25.4
|
1.0
|
|
HA
|
A:CYS893
|
5.0
|
23.5
|
1.0
|
|
Zinc binding site 2 out
of 8 in 6gzy
Go back to
Zinc Binding Sites List in 6gzy
Zinc binding site 2 out
of 8 in the Hoip-FRAGMENT5 Complex
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Hoip-FRAGMENT5 Complex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn4003
b:16.7
occ:1.00
|
ND1
|
A:HIS926
|
2.0
|
15.4
|
1.0
|
|
SG
|
A:CYS898
|
2.2
|
16.2
|
1.0
|
|
SG
|
A:CYS901
|
2.3
|
14.4
|
1.0
|
|
SG
|
A:CYS930
|
2.3
|
13.9
|
1.0
|
|
CE1
|
A:HIS926
|
2.9
|
16.1
|
1.0
|
|
HB3
|
A:HIS926
|
3.0
|
22.1
|
1.0
|
|
HE1
|
A:HIS926
|
3.1
|
19.3
|
1.0
|
|
CG
|
A:HIS926
|
3.1
|
18.1
|
1.0
|
|
HB3
|
A:CYS898
|
3.1
|
27.7
|
1.0
|
|
H
|
A:CYS901
|
3.1
|
15.5
|
1.0
|
|
HB3
|
A:CYS901
|
3.2
|
22.5
|
1.0
|
|
CB
|
A:CYS898
|
3.2
|
23.1
|
1.0
|
|
CB
|
A:CYS901
|
3.3
|
18.8
|
1.0
|
|
HB2
|
A:PHE932
|
3.3
|
26.2
|
1.0
|
|
HB2
|
A:CYS898
|
3.4
|
27.7
|
1.0
|
|
CB
|
A:HIS926
|
3.5
|
18.4
|
1.0
|
|
HB2
|
A:CYS930
|
3.5
|
28.1
|
1.0
|
|
CB
|
A:CYS930
|
3.5
|
23.4
|
1.0
|
|
N
|
A:CYS901
|
3.6
|
13.0
|
1.0
|
|
HB3
|
A:PHE932
|
3.7
|
26.2
|
1.0
|
|
HB3
|
A:CYS930
|
3.7
|
28.1
|
1.0
|
|
HD2
|
A:PRO927
|
3.7
|
20.3
|
1.0
|
|
HA
|
A:HIS926
|
3.7
|
23.3
|
1.0
|
|
CB
|
A:PHE932
|
4.0
|
21.9
|
1.0
|
|
H
|
A:GLY900
|
4.0
|
14.6
|
1.0
|
|
CA
|
A:CYS901
|
4.0
|
18.4
|
1.0
|
|
H
|
A:PHE932
|
4.0
|
16.7
|
1.0
|
|
NE2
|
A:HIS926
|
4.1
|
17.6
|
1.0
|
|
HB2
|
A:CYS901
|
4.1
|
22.5
|
1.0
|
|
HA3
|
A:GLY900
|
4.1
|
15.6
|
1.0
|
|
CD2
|
A:HIS926
|
4.2
|
18.6
|
1.0
|
|
HE2
|
A:MET886
|
4.2
|
19.6
|
0.8
|
|
CA
|
A:HIS926
|
4.2
|
19.4
|
1.0
|
|
HB2
|
A:HIS926
|
4.3
|
22.1
|
1.0
|
|
C
|
A:GLY900
|
4.3
|
12.7
|
1.0
|
|
CA
|
A:GLY900
|
4.5
|
13.0
|
1.0
|
|
CA
|
A:CYS898
|
4.6
|
19.4
|
1.0
|
|
N
|
A:GLY900
|
4.6
|
12.2
|
1.0
|
|
HB2
|
A:ASN903
|
4.6
|
21.2
|
1.0
|
|
CD
|
A:PRO927
|
4.7
|
16.9
|
1.0
|
|
H
|
A:ASN903
|
4.7
|
21.6
|
1.0
|
|
HD22
|
A:ASN903
|
4.8
|
23.8
|
1.0
|
|
H
|
A:TYR902
|
4.8
|
20.4
|
1.0
|
|
HA
|
A:CYS901
|
4.8
|
22.0
|
1.0
|
|
N
|
A:PHE932
|
4.8
|
13.9
|
1.0
|
|
HE3
|
A:MET886
|
4.8
|
19.6
|
0.8
|
|
HE2
|
A:HIS926
|
4.8
|
21.0
|
1.0
|
|
CG
|
A:PHE932
|
4.8
|
17.4
|
1.0
|
|
HB3
|
A:MET886
|
4.9
|
24.8
|
0.8
|
|
CA
|
A:CYS930
|
4.9
|
14.7
|
1.0
|
|
C
|
A:CYS901
|
4.9
|
15.5
|
1.0
|
|
HB3
|
A:MET886
|
4.9
|
25.2
|
0.2
|
|
CE
|
A:MET886
|
4.9
|
16.3
|
0.8
|
|
O
|
A:HIS925
|
4.9
|
19.7
|
1.0
|
|
C
|
A:CYS898
|
5.0
|
17.5
|
1.0
|
|
HA
|
A:CYS898
|
5.0
|
23.2
|
1.0
|
|
Zinc binding site 3 out
of 8 in 6gzy
Go back to
Zinc Binding Sites List in 6gzy
Zinc binding site 3 out
of 8 in the Hoip-FRAGMENT5 Complex
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Hoip-FRAGMENT5 Complex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn4004
b:35.8
occ:1.00
|
NE2
|
A:HIS923
|
2.0
|
28.9
|
1.0
|
|
NE2
|
A:HIS925
|
2.2
|
29.8
|
1.0
|
|
SG
|
A:CYS911
|
2.2
|
40.2
|
1.0
|
|
SG
|
A:CYS916
|
2.3
|
42.3
|
1.0
|
|
HB2
|
A:CYS916
|
2.7
|
59.4
|
1.0
|
|
CE1
|
A:HIS923
|
2.9
|
29.6
|
1.0
|
|
HE1
|
A:HIS923
|
3.0
|
35.4
|
1.0
|
|
CB
|
A:CYS916
|
3.0
|
49.6
|
1.0
|
|
CD2
|
A:HIS925
|
3.0
|
31.4
|
1.0
|
|
HD2
|
A:HIS925
|
3.1
|
37.7
|
1.0
|
|
CD2
|
A:HIS923
|
3.1
|
30.5
|
1.0
|
|
CB
|
A:CYS911
|
3.2
|
54.0
|
1.0
|
|
HB2
|
A:CYS911
|
3.2
|
64.8
|
1.0
|
|
CE1
|
A:HIS925
|
3.2
|
35.1
|
1.0
|
|
HB3
|
A:CYS911
|
3.3
|
64.8
|
1.0
|
|
HB3
|
A:GLU913
|
3.4
|
94.4
|
1.0
|
|
HD2
|
A:HIS923
|
3.4
|
36.5
|
1.0
|
|
HB3
|
A:CYS916
|
3.4
|
59.4
|
1.0
|
|
HE1
|
A:HIS925
|
3.5
|
42.0
|
1.0
|
|
HB2
|
A:GLU913
|
3.7
|
94.4
|
1.0
|
|
CB
|
A:GLU913
|
4.0
|
78.7
|
1.0
|
|
ND1
|
A:HIS923
|
4.1
|
28.5
|
1.0
|
|
HA
|
A:LYS919
|
4.1
|
66.0
|
1.0
|
|
CG
|
A:HIS923
|
4.2
|
29.4
|
1.0
|
|
CG
|
A:HIS925
|
4.2
|
29.4
|
1.0
|
|
ND1
|
A:HIS925
|
4.3
|
28.5
|
1.0
|
|
HG2
|
A:GLU913
|
4.3
|
0.2
|
1.0
|
|
CA
|
A:CYS916
|
4.3
|
55.5
|
1.0
|
|
HA
|
A:CYS916
|
4.4
|
66.5
|
1.0
|
|
H
|
A:GLU913
|
4.5
|
83.2
|
1.0
|
|
CA
|
A:CYS911
|
4.6
|
53.7
|
1.0
|
|
HD2
|
A:TYR906
|
4.6
|
50.5
|
1.0
|
|
H
|
A:VAL918
|
4.6
|
83.8
|
1.0
|
|
CG
|
A:GLU913
|
4.7
|
86.8
|
1.0
|
|
HD1
|
A:HIS923
|
4.8
|
34.2
|
1.0
|
|
HA
|
A:CYS911
|
4.8
|
64.4
|
1.0
|
|
HB
|
A:VAL918
|
4.9
|
80.1
|
1.0
|
|
CA
|
A:LYS919
|
5.0
|
55.0
|
1.0
|
|
Zinc binding site 4 out
of 8 in 6gzy
Go back to
Zinc Binding Sites List in 6gzy
Zinc binding site 4 out
of 8 in the Hoip-FRAGMENT5 Complex
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Hoip-FRAGMENT5 Complex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn4005
b:36.5
occ:1.00
|
ND1
|
A:HIS1001
|
2.0
|
18.7
|
1.0
|
|
SG
|
A:CYS998
|
2.2
|
31.7
|
1.0
|
|
SG
|
A:CYS986
|
2.4
|
52.2
|
1.0
|
|
SG
|
A:CYS969
|
2.4
|
53.0
|
1.0
|
|
HB3
|
A:CYS969
|
2.7
|
59.2
|
1.0
|
|
CE1
|
A:HIS1001
|
2.8
|
21.7
|
1.0
|
|
HE1
|
A:HIS1001
|
2.9
|
26.0
|
1.0
|
|
CB
|
A:CYS969
|
3.0
|
49.4
|
1.0
|
|
HB2
|
A:CYS969
|
3.1
|
59.2
|
1.0
|
|
HB2
|
A:HIS1001
|
3.1
|
27.3
|
1.0
|
|
HB3
|
A:CYS998
|
3.2
|
42.1
|
1.0
|
|
CG
|
A:HIS1001
|
3.2
|
21.4
|
1.0
|
|
HB3
|
A:CYS986
|
3.2
|
64.6
|
1.0
|
|
H
|
A:CYS998
|
3.3
|
53.0
|
1.0
|
|
CB
|
A:CYS998
|
3.3
|
35.1
|
1.0
|
|
CB
|
A:CYS986
|
3.3
|
53.9
|
1.0
|
|
HB2
|
A:CYS986
|
3.5
|
64.6
|
1.0
|
|
CB
|
A:HIS1001
|
3.7
|
22.8
|
1.0
|
|
HB
|
A:VAL971
|
3.8
|
38.1
|
1.0
|
|
HB2
|
A:LYS988
|
3.9
|
54.4
|
1.0
|
|
HG23
|
A:VAL971
|
4.0
|
39.4
|
1.0
|
|
H
|
A:HIS1001
|
4.0
|
24.7
|
1.0
|
|
NE2
|
A:HIS1001
|
4.0
|
19.0
|
1.0
|
|
N
|
A:CYS998
|
4.0
|
44.2
|
1.0
|
|
HB2
|
A:CYS998
|
4.0
|
42.1
|
1.0
|
|
CD2
|
A:HIS1001
|
4.2
|
18.3
|
1.0
|
|
H
|
A:LYS988
|
4.2
|
62.6
|
1.0
|
|
HB3
|
A:HIS1001
|
4.3
|
27.3
|
1.0
|
|
CA
|
A:CYS998
|
4.3
|
39.5
|
1.0
|
|
CA
|
A:CYS969
|
4.4
|
53.1
|
1.0
|
|
H
|
A:VAL971
|
4.5
|
48.7
|
1.0
|
|
CB
|
A:VAL971
|
4.6
|
31.8
|
1.0
|
|
CG2
|
A:VAL971
|
4.6
|
32.9
|
1.0
|
|
HD22
|
A:LEU997
|
4.6
|
40.0
|
1.0
|
|
N
|
A:HIS1001
|
4.7
|
20.6
|
1.0
|
|
HB3
|
A:LEU997
|
4.7
|
39.5
|
1.0
|
|
HZ3
|
A:LYS988
|
4.8
|
62.9
|
1.0
|
|
HE2
|
A:HIS1001
|
4.8
|
22.8
|
1.0
|
|
HG21
|
A:VAL971
|
4.8
|
39.4
|
1.0
|
|
O
|
A:HOH4118
|
4.8
|
35.3
|
1.0
|
|
CA
|
A:CYS986
|
4.8
|
56.8
|
1.0
|
|
CA
|
A:HIS1001
|
4.8
|
24.5
|
1.0
|
|
CB
|
A:LYS988
|
4.9
|
45.4
|
1.0
|
|
HA
|
A:CYS969
|
4.9
|
63.6
|
1.0
|
|
C
|
A:CYS969
|
4.9
|
49.1
|
1.0
|
|
OE2
|
A:GLU973
|
4.9
|
69.5
|
1.0
|
|
H
|
A:GLY987
|
5.0
|
51.8
|
1.0
|
|
H
|
A:CYS969
|
5.0
|
79.5
|
1.0
|
|
HA
|
A:LEU997
|
5.0
|
48.0
|
1.0
|
|
Zinc binding site 5 out
of 8 in 6gzy
Go back to
Zinc Binding Sites List in 6gzy
Zinc binding site 5 out
of 8 in the Hoip-FRAGMENT5 Complex
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Hoip-FRAGMENT5 Complex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn4002
b:23.0
occ:1.00
|
SG
|
B:CYS893
|
2.2
|
23.4
|
1.0
|
|
SG
|
B:CYS871
|
2.3
|
21.1
|
1.0
|
|
SG
|
B:CYS890
|
2.3
|
23.1
|
1.0
|
|
SG
|
B:CYS874
|
2.3
|
25.4
|
1.0
|
|
HB3
|
B:CYS874
|
2.9
|
31.9
|
1.0
|
|
H
|
B:CYS874
|
2.9
|
29.8
|
1.0
|
|
HB3
|
B:CYS871
|
3.1
|
25.2
|
1.0
|
|
HB3
|
B:CYS890
|
3.1
|
25.5
|
1.0
|
|
CB
|
B:CYS871
|
3.1
|
21.0
|
1.0
|
|
CB
|
B:CYS874
|
3.1
|
26.6
|
1.0
|
|
CB
|
B:CYS890
|
3.2
|
21.3
|
1.0
|
|
HB2
|
B:CYS871
|
3.2
|
25.2
|
1.0
|
|
HB2
|
B:CYS890
|
3.3
|
25.5
|
1.0
|
|
HB3
|
B:CYS893
|
3.3
|
30.5
|
1.0
|
|
H
|
B:CYS893
|
3.3
|
30.1
|
1.0
|
|
CB
|
B:CYS893
|
3.4
|
25.4
|
1.0
|
|
N
|
B:CYS874
|
3.6
|
24.9
|
1.0
|
|
HB2
|
B:GLN892
|
3.7
|
32.5
|
1.0
|
|
HB3
|
B:LYS873
|
3.8
|
30.6
|
1.0
|
|
HB3
|
B:HIS895
|
3.9
|
24.2
|
1.0
|
|
N
|
B:CYS893
|
3.9
|
25.1
|
1.0
|
|
CA
|
B:CYS874
|
3.9
|
26.4
|
1.0
|
|
HB2
|
B:CYS874
|
3.9
|
31.9
|
1.0
|
|
HB2
|
B:CYS893
|
4.1
|
30.5
|
1.0
|
|
H
|
B:PHE876
|
4.2
|
37.1
|
1.0
|
|
CA
|
B:CYS893
|
4.2
|
26.5
|
1.0
|
|
H
|
B:HIS895
|
4.2
|
24.4
|
0.6
|
|
H
|
B:HIS895
|
4.2
|
24.4
|
0.4
|
|
H
|
B:LYS873
|
4.4
|
34.7
|
1.0
|
|
HB3
|
B:PHE876
|
4.4
|
32.3
|
1.0
|
|
H
|
B:LYS875
|
4.4
|
32.5
|
1.0
|
|
HB2
|
B:HIS895
|
4.5
|
24.2
|
1.0
|
|
HH
|
B:TYR878
|
4.5
|
33.7
|
1.0
|
|
HB2
|
B:PHE876
|
4.5
|
32.3
|
1.0
|
|
CA
|
B:CYS871
|
4.6
|
20.1
|
1.0
|
|
C
|
B:CYS874
|
4.6
|
27.1
|
1.0
|
|
H
|
B:GLN892
|
4.6
|
29.6
|
1.0
|
|
CB
|
B:HIS895
|
4.6
|
20.2
|
1.0
|
|
CA
|
B:CYS890
|
4.6
|
20.8
|
1.0
|
|
CB
|
B:LYS873
|
4.6
|
25.5
|
1.0
|
|
CB
|
B:GLN892
|
4.7
|
27.1
|
1.0
|
|
HG2
|
B:LYS873
|
4.7
|
39.5
|
1.0
|
|
C
|
B:LYS873
|
4.7
|
29.9
|
1.0
|
|
N
|
B:LYS875
|
4.7
|
27.1
|
1.0
|
|
HA
|
B:CYS874
|
4.7
|
31.7
|
1.0
|
|
H
|
B:ARG894
|
4.8
|
33.0
|
1.0
|
|
C
|
B:CYS893
|
4.8
|
23.9
|
1.0
|
|
HD3
|
B:LYS873
|
4.8
|
41.4
|
1.0
|
|
C
|
B:GLN892
|
4.8
|
26.5
|
1.0
|
|
HA
|
B:CYS871
|
4.9
|
24.1
|
1.0
|
|
CB
|
B:PHE876
|
4.9
|
26.9
|
1.0
|
|
HE1
|
B:TYR878
|
4.9
|
27.8
|
1.0
|
|
HA
|
B:CYS890
|
5.0
|
25.0
|
1.0
|
|
N
|
B:LYS873
|
5.0
|
28.9
|
1.0
|
|
Zinc binding site 6 out
of 8 in 6gzy
Go back to
Zinc Binding Sites List in 6gzy
Zinc binding site 6 out
of 8 in the Hoip-FRAGMENT5 Complex
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of Hoip-FRAGMENT5 Complex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn4003
b:14.4
occ:1.00
|
ND1
|
B:HIS926
|
2.1
|
18.0
|
1.0
|
|
SG
|
B:CYS901
|
2.2
|
14.0
|
1.0
|
|
SG
|
B:CYS930
|
2.2
|
12.9
|
1.0
|
|
SG
|
B:CYS898
|
2.3
|
16.4
|
1.0
|
|
HB3
|
B:HIS926
|
2.9
|
22.5
|
1.0
|
|
CE1
|
B:HIS926
|
3.0
|
15.9
|
1.0
|
|
HB3
|
B:CYS901
|
3.0
|
18.6
|
1.0
|
|
CG
|
B:HIS926
|
3.1
|
15.5
|
1.0
|
|
H
|
B:CYS901
|
3.1
|
16.4
|
1.0
|
|
HB3
|
B:CYS898
|
3.2
|
25.8
|
1.0
|
|
HE1
|
B:HIS926
|
3.2
|
19.1
|
1.0
|
|
CB
|
B:CYS901
|
3.2
|
15.6
|
1.0
|
|
CB
|
B:CYS898
|
3.3
|
21.5
|
1.0
|
|
HB2
|
B:PHE932
|
3.3
|
19.9
|
1.0
|
|
CB
|
B:HIS926
|
3.5
|
18.8
|
1.0
|
|
CB
|
B:CYS930
|
3.5
|
16.4
|
1.0
|
|
HB2
|
B:CYS898
|
3.5
|
25.8
|
1.0
|
|
HB2
|
B:CYS930
|
3.5
|
19.6
|
1.0
|
|
N
|
B:CYS901
|
3.5
|
13.7
|
1.0
|
|
HD2
|
B:PRO927
|
3.6
|
17.9
|
1.0
|
|
HB3
|
B:PHE932
|
3.6
|
19.9
|
1.0
|
|
HB3
|
B:CYS930
|
3.7
|
19.6
|
1.0
|
|
HA
|
B:HIS926
|
3.7
|
28.6
|
1.0
|
|
CB
|
B:PHE932
|
3.9
|
16.6
|
1.0
|
|
CA
|
B:CYS901
|
4.0
|
14.2
|
1.0
|
|
HB2
|
B:CYS901
|
4.0
|
18.6
|
1.0
|
|
H
|
B:PHE932
|
4.0
|
14.9
|
1.0
|
|
H
|
B:GLY900
|
4.0
|
15.8
|
1.0
|
|
HA3
|
B:GLY900
|
4.1
|
15.8
|
1.0
|
|
CA
|
B:HIS926
|
4.1
|
23.9
|
1.0
|
|
NE2
|
B:HIS926
|
4.1
|
17.5
|
1.0
|
|
CD2
|
B:HIS926
|
4.2
|
14.8
|
1.0
|
|
HE2
|
B:MET886
|
4.2
|
25.1
|
0.8
|
|
HB2
|
B:HIS926
|
4.3
|
22.5
|
1.0
|
|
C
|
B:GLY900
|
4.3
|
13.5
|
1.0
|
|
CA
|
B:GLY900
|
4.5
|
13.2
|
1.0
|
|
CD
|
B:PRO927
|
4.5
|
14.9
|
1.0
|
|
N
|
B:GLY900
|
4.7
|
13.2
|
1.0
|
|
CA
|
B:CYS898
|
4.7
|
18.5
|
1.0
|
|
HB2
|
B:ASN903
|
4.7
|
22.1
|
1.0
|
|
HA
|
B:CYS901
|
4.7
|
17.0
|
1.0
|
|
H
|
B:ASN903
|
4.8
|
29.8
|
1.0
|
|
H
|
B:TYR902
|
4.8
|
22.9
|
1.0
|
|
N
|
B:PHE932
|
4.8
|
12.4
|
1.0
|
|
HD22
|
B:ASN903
|
4.8
|
28.7
|
1.0
|
|
CA
|
B:CYS930
|
4.8
|
15.0
|
1.0
|
|
CG
|
B:PHE932
|
4.8
|
13.2
|
1.0
|
|
C
|
B:CYS901
|
4.8
|
14.8
|
1.0
|
|
HD3
|
B:PRO927
|
4.9
|
17.9
|
1.0
|
|
HE2
|
B:HIS926
|
4.9
|
21.0
|
1.0
|
|
O
|
B:HIS925
|
4.9
|
22.2
|
1.0
|
|
HE3
|
B:MET886
|
4.9
|
25.1
|
0.8
|
|
HB3
|
B:MET886
|
4.9
|
18.5
|
0.8
|
|
HA
|
B:CYS930
|
4.9
|
17.9
|
1.0
|
|
HB3
|
B:MET886
|
5.0
|
18.4
|
0.2
|
|
C
|
B:CYS898
|
5.0
|
18.0
|
1.0
|
|
Zinc binding site 7 out
of 8 in 6gzy
Go back to
Zinc Binding Sites List in 6gzy
Zinc binding site 7 out
of 8 in the Hoip-FRAGMENT5 Complex
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of Hoip-FRAGMENT5 Complex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn4004
b:35.1
occ:1.00
|
NE2
|
B:HIS923
|
2.0
|
20.5
|
1.0
|
|
NE2
|
B:HIS925
|
2.2
|
28.2
|
1.0
|
|
SG
|
B:CYS911
|
2.2
|
31.7
|
1.0
|
|
SG
|
B:CYS916
|
2.3
|
42.5
|
1.0
|
|
HB2
|
B:CYS916
|
2.7
|
55.4
|
1.0
|
|
CE1
|
B:HIS923
|
3.0
|
21.0
|
1.0
|
|
CD2
|
B:HIS925
|
3.0
|
29.9
|
1.0
|
|
CB
|
B:CYS916
|
3.1
|
46.2
|
1.0
|
|
CD2
|
B:HIS923
|
3.1
|
22.7
|
1.0
|
|
HD2
|
B:HIS925
|
3.1
|
35.9
|
1.0
|
|
HB2
|
B:CYS911
|
3.1
|
47.4
|
1.0
|
|
HE1
|
B:HIS923
|
3.1
|
25.1
|
1.0
|
|
CB
|
B:CYS911
|
3.2
|
39.5
|
1.0
|
|
CE1
|
B:HIS925
|
3.2
|
32.0
|
1.0
|
|
HD2
|
B:HIS923
|
3.3
|
27.2
|
1.0
|
|
HB3
|
B:CYS911
|
3.3
|
47.4
|
1.0
|
|
HE1
|
B:HIS925
|
3.5
|
38.4
|
1.0
|
|
HB3
|
B:CYS916
|
3.5
|
55.4
|
1.0
|
|
HB3
|
B:GLU913
|
3.5
|
88.4
|
1.0
|
|
HB2
|
B:GLU913
|
3.8
|
88.4
|
1.0
|
|
ND1
|
B:HIS923
|
4.1
|
24.8
|
1.0
|
|
CB
|
B:GLU913
|
4.2
|
73.7
|
1.0
|
|
CG
|
B:HIS923
|
4.2
|
20.9
|
1.0
|
|
CG
|
B:HIS925
|
4.2
|
29.4
|
1.0
|
|
ND1
|
B:HIS925
|
4.3
|
29.6
|
1.0
|
|
HA
|
B:LYS919
|
4.3
|
75.0
|
1.0
|
|
HA
|
B:CYS916
|
4.3
|
74.3
|
1.0
|
|
CA
|
B:CYS916
|
4.3
|
61.9
|
1.0
|
|
HD2
|
B:TYR906
|
4.5
|
55.0
|
1.0
|
|
HG2
|
B:GLU913
|
4.6
|
97.3
|
1.0
|
|
CA
|
B:CYS911
|
4.6
|
48.1
|
1.0
|
|
H
|
B:VAL918
|
4.6
|
93.9
|
1.0
|
|
H
|
B:GLU913
|
4.6
|
82.6
|
1.0
|
|
HA
|
B:CYS911
|
4.7
|
57.7
|
1.0
|
|
HD1
|
B:HIS923
|
4.9
|
29.8
|
1.0
|
|
HB
|
B:VAL918
|
4.9
|
84.0
|
1.0
|
|
CG
|
B:GLU913
|
5.0
|
81.2
|
1.0
|
|
Zinc binding site 8 out
of 8 in 6gzy
Go back to
Zinc Binding Sites List in 6gzy
Zinc binding site 8 out
of 8 in the Hoip-FRAGMENT5 Complex
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 8 of Hoip-FRAGMENT5 Complex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn4005
b:40.0
occ:1.00
|
ND1
|
B:HIS1001
|
1.9
|
26.7
|
1.0
|
|
SG
|
B:CYS969
|
2.2
|
40.5
|
1.0
|
|
SG
|
B:CYS998
|
2.2
|
39.3
|
1.0
|
|
SG
|
B:CYS986
|
2.6
|
51.5
|
1.0
|
|
CE1
|
B:HIS1001
|
2.6
|
26.7
|
1.0
|
|
HE1
|
B:HIS1001
|
2.6
|
32.0
|
1.0
|
|
HB3
|
B:CYS969
|
2.8
|
58.0
|
1.0
|
|
HB3
|
B:CYS986
|
2.9
|
57.1
|
1.0
|
|
HB3
|
B:CYS998
|
2.9
|
33.7
|
1.0
|
|
CB
|
B:CYS969
|
3.0
|
48.3
|
1.0
|
|
CG
|
B:HIS1001
|
3.1
|
26.4
|
1.0
|
|
CB
|
B:CYS986
|
3.2
|
47.6
|
1.0
|
|
HB2
|
B:CYS969
|
3.2
|
58.0
|
1.0
|
|
H
|
B:CYS998
|
3.2
|
43.9
|
1.0
|
|
CB
|
B:CYS998
|
3.2
|
28.1
|
1.0
|
|
HB2
|
B:HIS1001
|
3.2
|
35.4
|
1.0
|
|
HB2
|
B:CYS986
|
3.3
|
57.1
|
1.0
|
|
HB
|
B:VAL971
|
3.5
|
57.1
|
1.0
|
|
HG23
|
B:VAL971
|
3.6
|
52.9
|
1.0
|
|
CB
|
B:HIS1001
|
3.7
|
29.5
|
1.0
|
|
HB2
|
B:LYS988
|
3.8
|
49.1
|
1.0
|
|
NE2
|
B:HIS1001
|
3.8
|
26.5
|
1.0
|
|
HB2
|
B:CYS998
|
3.9
|
33.7
|
1.0
|
|
N
|
B:CYS998
|
3.9
|
36.6
|
1.0
|
|
CD2
|
B:HIS1001
|
4.1
|
21.7
|
1.0
|
|
H
|
B:HIS1001
|
4.1
|
29.2
|
1.0
|
|
CA
|
B:CYS998
|
4.2
|
29.0
|
1.0
|
|
H
|
B:VAL971
|
4.2
|
55.2
|
1.0
|
|
H
|
B:LYS988
|
4.2
|
60.9
|
1.0
|
|
HB3
|
B:HIS1001
|
4.3
|
35.4
|
1.0
|
|
CG2
|
B:VAL971
|
4.3
|
44.1
|
1.0
|
|
CB
|
B:VAL971
|
4.3
|
47.7
|
1.0
|
|
CA
|
B:CYS969
|
4.4
|
57.6
|
1.0
|
|
HG21
|
B:VAL971
|
4.4
|
52.9
|
1.0
|
|
HE2
|
B:HIS1001
|
4.5
|
31.7
|
1.0
|
|
CA
|
B:CYS986
|
4.6
|
54.3
|
1.0
|
|
HD2
|
B:LYS988
|
4.7
|
55.8
|
1.0
|
|
CB
|
B:LYS988
|
4.7
|
40.9
|
1.0
|
|
HB3
|
B:LEU997
|
4.8
|
43.6
|
1.0
|
|
N
|
B:HIS1001
|
4.8
|
24.4
|
1.0
|
|
HG3
|
B:LYS988
|
4.8
|
52.8
|
1.0
|
|
HA
|
B:CYS969
|
4.8
|
69.1
|
1.0
|
|
H
|
B:GLY987
|
4.8
|
68.5
|
1.0
|
|
C
|
B:CYS969
|
4.9
|
57.5
|
1.0
|
|
HA
|
B:CYS998
|
4.9
|
34.8
|
1.0
|
|
CA
|
B:HIS1001
|
4.9
|
27.0
|
1.0
|
|
HD22
|
B:LEU997
|
4.9
|
49.8
|
1.0
|
|
N
|
B:VAL971
|
5.0
|
46.0
|
1.0
|
|
HD2
|
B:HIS1001
|
5.0
|
26.0
|
1.0
|
|
HA
|
B:LEU997
|
5.0
|
47.7
|
1.0
|
|
C
|
B:CYS998
|
5.0
|
36.6
|
1.0
|
|
Reference:
H.Johansson,
Y.C.Isabella Tsai,
K.Fantom,
C.W.Chung,
S.Kumper,
L.Martino,
D.A.Thomas,
H.C.Eberl,
M.Muelbaier,
D.House,
K.Rittinger.
Fragment-Based Covalent Ligand Screening Enables Rapid Discovery of Inhibitors For the Rbr E3 Ubiquitin Ligase Hoip. J. Am. Chem. Soc. V. 141 2703 2019.
ISSN: ESSN 1520-5126
PubMed: 30657686
DOI: 10.1021/JACS.8B13193
Page generated: Mon Oct 28 22:08:43 2024
|
