Zinc in PDB 6obg: Ricin A Chain Bound to Vhh Antibody V8E6
Enzymatic activity of Ricin A Chain Bound to Vhh Antibody V8E6
All present enzymatic activity of Ricin A Chain Bound to Vhh Antibody V8E6:
3.2.2.22;
Protein crystallography data
The structure of Ricin A Chain Bound to Vhh Antibody V8E6, PDB code: 6obg
was solved by
M.J.Rudolph,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
45.74 /
2.00
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
59.795,
77.885,
92.597,
90.00,
98.95,
90.00
|
R / Rfree (%)
|
18.9 /
21.8
|
Other elements in 6obg:
The structure of Ricin A Chain Bound to Vhh Antibody V8E6 also contains other interesting chemical elements:
Zinc Binding Sites:
The binding sites of Zinc atom in the Ricin A Chain Bound to Vhh Antibody V8E6
(pdb code 6obg). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 9 binding sites of Zinc where determined in the
Ricin A Chain Bound to Vhh Antibody V8E6, PDB code: 6obg:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Zinc binding site 1 out
of 9 in 6obg
Go back to
Zinc Binding Sites List in 6obg
Zinc binding site 1 out
of 9 in the Ricin A Chain Bound to Vhh Antibody V8E6
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Ricin A Chain Bound to Vhh Antibody V8E6 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn301
b:30.4
occ:0.80
|
NE2
|
A:HIS65
|
2.0
|
51.6
|
1.0
|
CE1
|
A:HIS65
|
2.8
|
43.8
|
1.0
|
O
|
A:HOH481
|
3.1
|
46.9
|
1.0
|
CD2
|
A:HIS65
|
3.1
|
46.5
|
1.0
|
ND1
|
A:HIS65
|
4.0
|
42.5
|
1.0
|
N
|
A:GLY15
|
4.0
|
36.4
|
1.0
|
CG
|
A:HIS65
|
4.1
|
45.4
|
1.0
|
CA
|
A:GLY15
|
4.7
|
40.5
|
1.0
|
C
|
A:ALA14
|
4.7
|
34.6
|
1.0
|
CA
|
A:ALA14
|
4.8
|
44.1
|
1.0
|
|
Zinc binding site 2 out
of 9 in 6obg
Go back to
Zinc Binding Sites List in 6obg
Zinc binding site 2 out
of 9 in the Ricin A Chain Bound to Vhh Antibody V8E6
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Ricin A Chain Bound to Vhh Antibody V8E6 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn302
b:48.3
occ:0.66
|
O
|
A:HOH507
|
2.0
|
49.2
|
1.0
|
O
|
A:HOH525
|
2.0
|
56.5
|
1.0
|
O
|
A:HOH423
|
2.1
|
52.3
|
1.0
|
O
|
A:HOH533
|
2.2
|
58.2
|
1.0
|
NE2
|
A:HIS94
|
2.2
|
66.1
|
1.0
|
O
|
A:HOH458
|
2.2
|
50.2
|
1.0
|
O
|
A:HOH542
|
2.7
|
60.0
|
1.0
|
CD2
|
A:HIS94
|
3.0
|
55.6
|
1.0
|
CE1
|
A:HIS94
|
3.3
|
65.2
|
1.0
|
CG
|
A:HIS94
|
4.2
|
55.0
|
1.0
|
ND1
|
A:HIS94
|
4.3
|
53.6
|
1.0
|
O
|
A:PRO95
|
4.4
|
54.6
|
1.0
|
|
Zinc binding site 3 out
of 9 in 6obg
Go back to
Zinc Binding Sites List in 6obg
Zinc binding site 3 out
of 9 in the Ricin A Chain Bound to Vhh Antibody V8E6
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Ricin A Chain Bound to Vhh Antibody V8E6 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn303
b:68.6
occ:0.74
|
OE1
|
A:GLU67
|
2.2
|
75.7
|
1.0
|
O
|
A:HOH536
|
2.4
|
70.8
|
1.0
|
OE2
|
A:GLU67
|
2.4
|
81.5
|
1.0
|
CD
|
A:GLU67
|
2.6
|
75.1
|
1.0
|
CG
|
A:GLU67
|
3.9
|
67.0
|
1.0
|
|
Zinc binding site 4 out
of 9 in 6obg
Go back to
Zinc Binding Sites List in 6obg
Zinc binding site 4 out
of 9 in the Ricin A Chain Bound to Vhh Antibody V8E6
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Ricin A Chain Bound to Vhh Antibody V8E6 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn304
b:35.8
occ:0.59
|
O
|
A:HOH451
|
1.9
|
45.5
|
1.0
|
ND1
|
A:HIS40
|
2.1
|
69.0
|
1.0
|
CE1
|
A:HIS40
|
3.0
|
62.6
|
1.0
|
CG
|
A:HIS40
|
3.1
|
56.7
|
1.0
|
CB
|
A:HIS40
|
3.5
|
44.3
|
1.0
|
CA
|
A:HIS40
|
3.6
|
46.3
|
1.0
|
O
|
A:HOH492
|
4.0
|
41.8
|
1.0
|
NE2
|
A:HIS40
|
4.1
|
58.6
|
1.0
|
CD2
|
A:HIS40
|
4.2
|
63.6
|
1.0
|
N
|
A:HIS40
|
4.2
|
40.1
|
1.0
|
O
|
A:HOH405
|
4.5
|
51.0
|
1.0
|
C
|
A:HIS40
|
4.8
|
38.8
|
1.0
|
|
Zinc binding site 5 out
of 9 in 6obg
Go back to
Zinc Binding Sites List in 6obg
Zinc binding site 5 out
of 9 in the Ricin A Chain Bound to Vhh Antibody V8E6
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Ricin A Chain Bound to Vhh Antibody V8E6 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn301
b:49.5
occ:0.93
|
O
|
B:HOH485
|
2.1
|
56.1
|
1.0
|
ND1
|
B:HIS40
|
2.2
|
72.1
|
1.0
|
O
|
B:HOH481
|
2.2
|
65.5
|
1.0
|
CE1
|
B:HIS40
|
3.0
|
59.1
|
1.0
|
CG
|
B:HIS40
|
3.1
|
56.2
|
1.0
|
CB
|
B:HIS40
|
3.5
|
42.5
|
1.0
|
CA
|
B:HIS40
|
3.8
|
49.8
|
1.0
|
NE2
|
B:HIS40
|
4.1
|
57.3
|
1.0
|
CD2
|
B:HIS40
|
4.2
|
53.6
|
1.0
|
N
|
B:HIS40
|
4.6
|
39.8
|
1.0
|
O
|
B:HOH403
|
4.6
|
54.9
|
1.0
|
C
|
B:HIS40
|
4.9
|
49.7
|
1.0
|
|
Zinc binding site 6 out
of 9 in 6obg
Go back to
Zinc Binding Sites List in 6obg
Zinc binding site 6 out
of 9 in the Ricin A Chain Bound to Vhh Antibody V8E6
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of Ricin A Chain Bound to Vhh Antibody V8E6 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn302
b:50.1
occ:0.91
|
NE2
|
B:HIS65
|
2.1
|
74.1
|
1.0
|
CE1
|
B:HIS65
|
2.7
|
66.7
|
1.0
|
O
|
B:HOH451
|
3.0
|
59.4
|
1.0
|
CD2
|
B:HIS65
|
3.3
|
67.6
|
1.0
|
N
|
B:GLY15
|
3.8
|
58.8
|
1.0
|
ND1
|
B:HIS65
|
4.0
|
63.3
|
1.0
|
CG
|
B:HIS65
|
4.2
|
69.4
|
1.0
|
CA
|
B:GLY15
|
4.5
|
56.0
|
1.0
|
CA
|
B:ALA14
|
4.6
|
62.2
|
1.0
|
C
|
B:ALA14
|
4.6
|
61.9
|
1.0
|
O
|
B:THR13
|
4.9
|
55.5
|
1.0
|
|
Zinc binding site 7 out
of 9 in 6obg
Go back to
Zinc Binding Sites List in 6obg
Zinc binding site 7 out
of 9 in the Ricin A Chain Bound to Vhh Antibody V8E6
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of Ricin A Chain Bound to Vhh Antibody V8E6 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn303
b:71.5
occ:1.00
|
OD1
|
B:ASP244
|
2.3
|
80.3
|
1.0
|
OD2
|
B:ASP244
|
2.4
|
81.4
|
1.0
|
O
|
B:HOH418
|
2.5
|
65.9
|
1.0
|
OG
|
B:SER246
|
2.6
|
71.0
|
1.0
|
CG
|
B:ASP244
|
2.7
|
76.8
|
1.0
|
CB
|
B:SER246
|
3.4
|
49.6
|
1.0
|
N
|
B:SER246
|
4.1
|
44.7
|
1.0
|
CB
|
B:ASP244
|
4.2
|
69.5
|
1.0
|
CA
|
B:SER246
|
4.4
|
43.5
|
1.0
|
O
|
B:GLY224
|
4.6
|
58.3
|
1.0
|
N
|
B:VAL245
|
4.8
|
50.6
|
1.0
|
CA
|
B:GLY224
|
5.0
|
54.9
|
1.0
|
CA
|
B:ASP244
|
5.0
|
66.3
|
1.0
|
|
Zinc binding site 8 out
of 9 in 6obg
Go back to
Zinc Binding Sites List in 6obg
Zinc binding site 8 out
of 9 in the Ricin A Chain Bound to Vhh Antibody V8E6
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 8 of Ricin A Chain Bound to Vhh Antibody V8E6 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn201
b:50.0
occ:0.70
|
ND1
|
C:HIS102
|
1.9
|
58.2
|
1.0
|
OE2
|
C:GLU106
|
1.9
|
58.1
|
1.0
|
O
|
C:HOH326
|
2.1
|
43.6
|
1.0
|
CE1
|
C:HIS102
|
2.6
|
65.6
|
1.0
|
CG
|
C:HIS102
|
2.8
|
61.3
|
1.0
|
CD
|
C:GLU106
|
2.8
|
46.9
|
1.0
|
O
|
C:HOH304
|
2.9
|
59.0
|
1.0
|
OE1
|
C:GLU106
|
3.1
|
49.8
|
1.0
|
CB
|
C:HIS102
|
3.5
|
46.6
|
1.0
|
NE2
|
C:HIS102
|
3.6
|
63.4
|
1.0
|
CD2
|
C:HIS102
|
3.7
|
58.8
|
1.0
|
O
|
C:HOH325
|
4.2
|
45.8
|
1.0
|
CG
|
C:GLU106
|
4.2
|
43.6
|
1.0
|
ND2
|
A:ASN78
|
4.3
|
44.6
|
1.0
|
OH
|
C:TYR107
|
4.6
|
64.1
|
1.0
|
CA
|
C:HIS102
|
4.9
|
40.5
|
1.0
|
CE1
|
C:TYR103
|
4.9
|
37.4
|
1.0
|
|
Zinc binding site 9 out
of 9 in 6obg
Go back to
Zinc Binding Sites List in 6obg
Zinc binding site 9 out
of 9 in the Ricin A Chain Bound to Vhh Antibody V8E6
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 9 of Ricin A Chain Bound to Vhh Antibody V8E6 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn201
b:55.3
occ:0.98
|
OE2
|
D:GLU106
|
2.0
|
70.3
|
1.0
|
CD2
|
D:HIS102
|
2.1
|
77.2
|
1.0
|
O
|
D:HOH321
|
2.3
|
55.4
|
1.0
|
O
|
D:HOH329
|
2.3
|
60.1
|
1.0
|
CD
|
D:GLU106
|
2.7
|
66.4
|
1.0
|
OE1
|
D:GLU106
|
2.8
|
67.4
|
1.0
|
CG
|
D:HIS102
|
3.0
|
65.3
|
1.0
|
NE2
|
D:HIS102
|
3.0
|
74.0
|
1.0
|
CB
|
D:HIS102
|
3.5
|
54.1
|
1.0
|
ND1
|
D:HIS102
|
4.0
|
74.1
|
1.0
|
CE1
|
D:HIS102
|
4.0
|
75.5
|
1.0
|
CG
|
D:GLU106
|
4.2
|
49.3
|
1.0
|
ND2
|
B:ASN78
|
4.2
|
38.8
|
1.0
|
OD2
|
B:ASP96
|
4.5
|
89.7
|
1.0
|
OH
|
D:TYR107
|
4.6
|
63.5
|
1.0
|
O
|
D:HOH308
|
4.6
|
48.5
|
1.0
|
CE1
|
D:TYR103
|
4.7
|
52.7
|
1.0
|
CA
|
D:HIS102
|
4.9
|
39.1
|
1.0
|
|
Reference:
M.J.Rudolph,
M.J.Rudolph.
N/A N/A.
Page generated: Tue Oct 29 04:13:16 2024
|