Zinc in PDB 1yec: Structure of A Catalytic Antibody IGG2A Fab Fragment (D2.3)
Protein crystallography data
The structure of Structure of A Catalytic Antibody IGG2A Fab Fragment (D2.3), PDB code: 1yec
was solved by
B.Golinelli-Pimpaneau,
M.Knossow,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
7.00 /
1.90
|
Space group
|
P 31 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
78.180,
78.180,
158.940,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
20.8 /
25.2
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Structure of A Catalytic Antibody IGG2A Fab Fragment (D2.3)
(pdb code 1yec). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 7 binding sites of Zinc where determined in the
Structure of A Catalytic Antibody IGG2A Fab Fragment (D2.3), PDB code: 1yec:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
Zinc binding site 1 out
of 7 in 1yec
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Zinc Binding Sites List in 1yec
Zinc binding site 1 out
of 7 in the Structure of A Catalytic Antibody IGG2A Fab Fragment (D2.3)
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Structure of A Catalytic Antibody IGG2A Fab Fragment (D2.3) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Zn215
b:28.9
occ:1.00
|
O
|
L:HOH249
|
3.7
|
30.0
|
1.0
|
O
|
H:HOH588
|
4.5
|
48.8
|
1.0
|
NZ
|
L:LYS30
|
4.6
|
37.3
|
1.0
|
CE
|
L:LYS30
|
4.9
|
31.9
|
1.0
|
|
Zinc binding site 2 out
of 7 in 1yec
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Zinc Binding Sites List in 1yec
Zinc binding site 2 out
of 7 in the Structure of A Catalytic Antibody IGG2A Fab Fragment (D2.3)
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Structure of A Catalytic Antibody IGG2A Fab Fragment (D2.3) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Zn216
b:33.6
occ:1.00
|
O
|
L:HOH288
|
1.6
|
34.0
|
1.0
|
O
|
L:HOH300
|
2.6
|
39.4
|
1.0
|
ZN
|
L:ZN218
|
3.4
|
20.4
|
1.0
|
O
|
L:HOH280
|
3.8
|
53.2
|
1.0
|
O
|
L:HOH299
|
3.8
|
43.9
|
1.0
|
O
|
L:HOH258
|
4.2
|
23.1
|
1.0
|
ND1
|
L:HIS93
|
4.9
|
18.9
|
1.0
|
|
Zinc binding site 3 out
of 7 in 1yec
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Zinc Binding Sites List in 1yec
Zinc binding site 3 out
of 7 in the Structure of A Catalytic Antibody IGG2A Fab Fragment (D2.3)
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Structure of A Catalytic Antibody IGG2A Fab Fragment (D2.3) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Zn217
b:26.0
occ:1.00
|
O
|
L:HOH264
|
1.6
|
47.2
|
1.0
|
O
|
H:HOH580
|
1.7
|
39.1
|
1.0
|
OD1
|
H:ASP100C
|
2.2
|
29.1
|
1.0
|
NE2
|
L:HIS49
|
2.3
|
19.3
|
1.0
|
CG
|
H:ASP100C
|
2.9
|
29.3
|
1.0
|
OD2
|
H:ASP100C
|
3.0
|
29.4
|
1.0
|
CE1
|
L:HIS49
|
3.1
|
16.5
|
1.0
|
CD2
|
L:HIS49
|
3.3
|
16.5
|
1.0
|
ND1
|
L:HIS49
|
4.2
|
17.9
|
1.0
|
N
|
H:TYR100D
|
4.3
|
20.1
|
1.0
|
CG
|
L:HIS49
|
4.4
|
16.0
|
1.0
|
CB
|
L:LYS53
|
4.4
|
22.4
|
1.0
|
CB
|
H:ASP100C
|
4.4
|
25.6
|
1.0
|
O
|
H:TYR100D
|
4.6
|
25.1
|
1.0
|
CG
|
L:LYS53
|
4.7
|
27.6
|
1.0
|
CD1
|
H:TYR100D
|
4.9
|
15.5
|
1.0
|
CA
|
H:ASP100C
|
4.9
|
23.0
|
1.0
|
|
Zinc binding site 4 out
of 7 in 1yec
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Zinc Binding Sites List in 1yec
Zinc binding site 4 out
of 7 in the Structure of A Catalytic Antibody IGG2A Fab Fragment (D2.3)
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Structure of A Catalytic Antibody IGG2A Fab Fragment (D2.3) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Zn218
b:20.4
occ:1.00
|
O
|
L:HOH300
|
1.7
|
39.4
|
1.0
|
O
|
L:HOH258
|
2.0
|
23.1
|
1.0
|
ND1
|
L:HIS93
|
2.4
|
18.9
|
1.0
|
O
|
L:HOH288
|
3.2
|
34.0
|
1.0
|
CG
|
L:HIS93
|
3.2
|
18.6
|
1.0
|
CE1
|
L:HIS93
|
3.3
|
19.8
|
1.0
|
ZN
|
L:ZN216
|
3.4
|
33.6
|
1.0
|
CB
|
L:HIS93
|
3.5
|
15.0
|
1.0
|
CA
|
L:HIS93
|
3.9
|
15.1
|
1.0
|
NE2
|
L:HIS93
|
4.3
|
21.6
|
1.0
|
CD2
|
L:HIS93
|
4.4
|
19.8
|
1.0
|
O
|
L:HOH235
|
4.7
|
24.1
|
1.0
|
O
|
L:THR92
|
4.7
|
16.7
|
1.0
|
N
|
L:PHE94
|
4.8
|
19.4
|
1.0
|
C
|
L:HIS93
|
4.9
|
17.5
|
1.0
|
N
|
L:HIS93
|
4.9
|
14.2
|
1.0
|
|
Zinc binding site 5 out
of 7 in 1yec
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Zinc Binding Sites List in 1yec
Zinc binding site 5 out
of 7 in the Structure of A Catalytic Antibody IGG2A Fab Fragment (D2.3)
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Structure of A Catalytic Antibody IGG2A Fab Fragment (D2.3) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Zn219
b:26.4
occ:1.00
|
O
|
L:HOH256
|
1.7
|
17.6
|
1.0
|
OD2
|
L:ASP151
|
1.9
|
23.2
|
1.0
|
O
|
L:HOH270
|
2.3
|
30.3
|
1.0
|
ND1
|
L:HIS189
|
2.4
|
29.0
|
1.0
|
CG
|
L:ASP151
|
2.9
|
19.9
|
1.0
|
ZN
|
L:ZN220
|
3.2
|
27.9
|
1.0
|
CG
|
L:HIS189
|
3.2
|
28.6
|
1.0
|
CE1
|
L:HIS189
|
3.3
|
28.2
|
1.0
|
CB
|
L:ASP151
|
3.3
|
18.9
|
1.0
|
CB
|
L:HIS189
|
3.5
|
26.6
|
1.0
|
O
|
L:HOH231
|
3.7
|
32.2
|
1.0
|
CA
|
L:HIS189
|
3.7
|
26.0
|
1.0
|
O
|
L:HOH272
|
3.9
|
26.0
|
1.0
|
O
|
L:HOH281
|
3.9
|
42.0
|
1.0
|
OD1
|
L:ASP151
|
4.1
|
22.7
|
1.0
|
O
|
L:ARG188
|
4.1
|
31.8
|
1.0
|
O
|
L:HOH271
|
4.2
|
17.7
|
1.0
|
NE2
|
L:HIS189
|
4.3
|
28.9
|
1.0
|
CD2
|
L:HIS189
|
4.3
|
29.7
|
1.0
|
CG2
|
L:ILE150
|
4.5
|
20.8
|
1.0
|
N
|
L:HIS189
|
4.6
|
25.9
|
1.0
|
N
|
L:ASN190
|
4.7
|
26.8
|
1.0
|
O
|
L:HOH283
|
4.7
|
36.1
|
1.0
|
CA
|
L:ASP151
|
4.7
|
19.4
|
1.0
|
C
|
L:ARG188
|
4.7
|
29.6
|
1.0
|
C
|
L:HIS189
|
4.8
|
24.9
|
1.0
|
O
|
L:ILE150
|
4.8
|
18.4
|
1.0
|
O
|
L:HOH242
|
4.8
|
26.8
|
1.0
|
ZN
|
L:ZN221
|
4.9
|
28.4
|
1.0
|
|
Zinc binding site 6 out
of 7 in 1yec
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Zinc Binding Sites List in 1yec
Zinc binding site 6 out
of 7 in the Structure of A Catalytic Antibody IGG2A Fab Fragment (D2.3)
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of Structure of A Catalytic Antibody IGG2A Fab Fragment (D2.3) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Zn220
b:27.9
occ:1.00
|
O
|
L:HOH283
|
1.6
|
36.1
|
1.0
|
O
|
L:HOH256
|
1.7
|
17.6
|
1.0
|
O
|
L:HOH272
|
1.7
|
26.0
|
1.0
|
O
|
L:HOH281
|
2.1
|
42.0
|
1.0
|
ZN
|
L:ZN219
|
3.2
|
26.4
|
1.0
|
O
|
L:HOH231
|
3.3
|
32.2
|
1.0
|
O
|
L:HOH242
|
3.4
|
26.8
|
1.0
|
ZN
|
L:ZN221
|
3.4
|
28.4
|
1.0
|
O
|
L:HOH270
|
4.0
|
30.3
|
1.0
|
O
|
L:HOH271
|
4.0
|
17.7
|
1.0
|
O
|
L:HOH274
|
4.0
|
22.8
|
1.0
|
CB
|
L:ASP151
|
4.2
|
18.9
|
1.0
|
OD2
|
L:ASP151
|
4.6
|
23.2
|
1.0
|
OG
|
L:SER153
|
4.8
|
35.6
|
1.0
|
O
|
L:ASP151
|
4.9
|
20.1
|
1.0
|
CG
|
L:ASP151
|
4.9
|
19.9
|
1.0
|
ND1
|
L:HIS189
|
5.0
|
29.0
|
1.0
|
|
Zinc binding site 7 out
of 7 in 1yec
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Zinc Binding Sites List in 1yec
Zinc binding site 7 out
of 7 in the Structure of A Catalytic Antibody IGG2A Fab Fragment (D2.3)
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of Structure of A Catalytic Antibody IGG2A Fab Fragment (D2.3) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Zn221
b:28.4
occ:1.00
|
O
|
L:HOH272
|
1.8
|
26.0
|
1.0
|
O
|
L:HOH271
|
1.8
|
17.7
|
1.0
|
O
|
L:HOH274
|
2.0
|
22.8
|
1.0
|
ZN
|
L:ZN220
|
3.4
|
27.9
|
1.0
|
O
|
L:HOH281
|
3.6
|
42.0
|
1.0
|
O
|
L:HOH242
|
3.7
|
26.8
|
1.0
|
O
|
L:HOH270
|
4.1
|
30.3
|
1.0
|
O
|
L:HOH283
|
4.2
|
36.1
|
1.0
|
O
|
L:HOH256
|
4.3
|
17.6
|
1.0
|
ZN
|
L:ZN219
|
4.9
|
26.4
|
1.0
|
|
Reference:
J.B.Charbonnier,
B.Golinelli-Pimpaneau,
B.Gigant,
D.S.Tawfik,
R.Chap,
D.G.Schindler,
S.H.Kim,
B.S.Green,
Z.Eshhar,
M.Knossow.
Structural Convergence in the Active Sites of A Family of Catalytic Antibodies. Science V. 275 1140 1997.
ISSN: ISSN 0036-8075
PubMed: 9027317
DOI: 10.1126/SCIENCE.275.5303.1140
Page generated: Wed Oct 16 20:52:45 2024
|