Mercury in PDB 1xpj: Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae
Protein crystallography data
The structure of Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae, PDB code: 1xpj
was solved by
J.S.Brunzelle,
G.Minasov,
L.Shuvalova,
F.R.Collart,
W.F.Anderson,
Midwestcenter For Structural Genomics (Mcsg),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
25.00 /
2.30
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
77.729,
52.888,
72.215,
90.00,
90.20,
90.00
|
R / Rfree (%)
|
20.1 /
25.3
|
Mercury Binding Sites:
The binding sites of Mercury atom in the Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae
(pdb code 1xpj). This binding sites where shown within
5.0 Angstroms radius around Mercury atom.
In total 4 binding sites of Mercury where determined in the
Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae, PDB code: 1xpj:
Jump to Mercury binding site number:
1;
2;
3;
4;
Mercury binding site 1 out
of 4 in 1xpj
Go back to
Mercury Binding Sites List in 1xpj
Mercury binding site 1 out
of 4 in the Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 1 of Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Hg401
b:64.7
occ:0.40
|
O
|
A:GLY91
|
2.3
|
22.1
|
1.0
|
SG
|
A:CYS90
|
2.3
|
19.5
|
0.6
|
O
|
A:GLY94
|
3.5
|
25.5
|
1.0
|
C
|
A:GLY91
|
3.5
|
21.5
|
1.0
|
NE
|
D:ARG100
|
3.7
|
26.0
|
1.0
|
CZ3
|
A:TRP89
|
3.8
|
22.3
|
0.5
|
CB
|
A:CYS90
|
3.8
|
19.9
|
1.0
|
CH2
|
A:TRP89
|
3.8
|
23.1
|
0.5
|
O
|
A:HIS92
|
3.9
|
21.8
|
1.0
|
C
|
A:GLY94
|
4.0
|
25.3
|
1.0
|
N
|
A:GLY91
|
4.0
|
20.9
|
1.0
|
C
|
A:CYS90
|
4.0
|
20.6
|
1.0
|
N
|
A:GLY94
|
4.1
|
24.5
|
1.0
|
C
|
A:HIS92
|
4.2
|
22.2
|
1.0
|
SG
|
A:CYS90
|
4.2
|
23.0
|
0.4
|
NH2
|
D:ARG100
|
4.3
|
25.2
|
1.0
|
CZ
|
D:ARG100
|
4.3
|
26.0
|
1.0
|
CA
|
A:GLY94
|
4.3
|
25.0
|
1.0
|
CA
|
A:CYS90
|
4.3
|
20.8
|
1.0
|
CG
|
D:ARG100
|
4.4
|
23.0
|
1.0
|
O
|
A:CYS90
|
4.4
|
21.1
|
1.0
|
CA
|
A:GLY91
|
4.4
|
21.1
|
1.0
|
CD
|
D:ARG100
|
4.4
|
24.9
|
1.0
|
N
|
A:HIS92
|
4.4
|
21.8
|
1.0
|
CA
|
A:HIS92
|
4.5
|
22.2
|
1.0
|
CE3
|
A:TRP89
|
4.5
|
21.7
|
0.5
|
O
|
D:HOH451
|
4.5
|
59.3
|
1.0
|
CZ2
|
A:TRP89
|
4.6
|
22.7
|
0.5
|
N
|
A:CYS90
|
4.7
|
20.4
|
1.0
|
O
|
A:HOH454
|
4.7
|
52.0
|
1.0
|
N
|
A:ASP93
|
4.8
|
22.4
|
1.0
|
N
|
A:PHE95
|
4.9
|
25.2
|
1.0
|
CB
|
D:ARG100
|
5.0
|
22.1
|
1.0
|
|
Mercury binding site 2 out
of 4 in 1xpj
Go back to
Mercury Binding Sites List in 1xpj
Mercury binding site 2 out
of 4 in the Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 2 of Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Hg402
b:66.9
occ:0.30
|
SG
|
B:CYS90
|
2.2
|
23.3
|
0.6
|
O
|
B:GLY91
|
2.4
|
23.8
|
1.0
|
O
|
B:GLY94
|
3.4
|
23.9
|
1.0
|
C
|
B:GLY91
|
3.6
|
23.6
|
1.0
|
O
|
B:HIS92
|
3.8
|
24.3
|
1.0
|
CB
|
B:CYS90
|
3.9
|
22.6
|
1.0
|
CZ3
|
B:TRP89
|
4.0
|
22.8
|
0.5
|
NE
|
C:ARG100
|
4.0
|
24.8
|
1.0
|
N
|
B:GLY91
|
4.1
|
23.1
|
1.0
|
CH2
|
B:TRP89
|
4.1
|
23.2
|
0.5
|
C
|
B:GLY94
|
4.2
|
23.8
|
1.0
|
C
|
B:CYS90
|
4.2
|
22.9
|
1.0
|
C
|
B:HIS92
|
4.3
|
24.2
|
1.0
|
CZ
|
C:ARG100
|
4.3
|
25.2
|
1.0
|
NH2
|
C:ARG100
|
4.4
|
25.3
|
1.0
|
CG
|
C:ARG100
|
4.4
|
21.5
|
1.0
|
N
|
B:GLY94
|
4.4
|
23.5
|
1.0
|
CA
|
B:CYS90
|
4.5
|
22.9
|
1.0
|
CA
|
B:GLY91
|
4.5
|
23.4
|
1.0
|
SG
|
B:CYS90
|
4.5
|
22.3
|
0.4
|
N
|
B:HIS92
|
4.6
|
23.9
|
1.0
|
CA
|
B:HIS92
|
4.6
|
24.3
|
1.0
|
CD
|
C:ARG100
|
4.6
|
23.4
|
1.0
|
CE3
|
B:TRP89
|
4.6
|
22.3
|
0.5
|
CA
|
B:GLY94
|
4.7
|
23.5
|
1.0
|
N
|
B:CYS90
|
4.8
|
23.0
|
1.0
|
O
|
B:CYS90
|
4.8
|
22.8
|
1.0
|
CZ2
|
B:TRP89
|
4.8
|
22.9
|
0.5
|
CB
|
C:ARG100
|
5.0
|
20.3
|
1.0
|
|
Mercury binding site 3 out
of 4 in 1xpj
Go back to
Mercury Binding Sites List in 1xpj
Mercury binding site 3 out
of 4 in the Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 3 of Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Hg403
b:66.5
occ:0.30
|
O
|
C:GLY91
|
2.1
|
24.1
|
1.0
|
SG
|
C:CYS90
|
2.2
|
23.9
|
0.6
|
O
|
C:GLY94
|
3.3
|
24.1
|
1.0
|
C
|
C:GLY91
|
3.4
|
24.1
|
1.0
|
O
|
C:HIS92
|
3.7
|
25.2
|
1.0
|
CB
|
C:CYS90
|
3.7
|
22.9
|
1.0
|
CH2
|
C:TRP89
|
3.8
|
24.4
|
0.5
|
CZ3
|
C:TRP89
|
3.8
|
23.6
|
0.5
|
N
|
C:GLY91
|
3.9
|
23.8
|
1.0
|
NE
|
B:ARG100
|
3.9
|
25.0
|
1.0
|
C
|
C:CYS90
|
4.0
|
23.3
|
1.0
|
C
|
C:GLY94
|
4.0
|
24.1
|
1.0
|
C
|
C:HIS92
|
4.1
|
24.9
|
1.0
|
N
|
C:GLY94
|
4.2
|
23.9
|
1.0
|
NH2
|
B:ARG100
|
4.2
|
24.5
|
1.0
|
CA
|
C:GLY91
|
4.2
|
23.8
|
1.0
|
CA
|
C:CYS90
|
4.3
|
23.2
|
1.0
|
N
|
C:HIS92
|
4.3
|
24.5
|
1.0
|
CZ
|
B:ARG100
|
4.3
|
24.6
|
1.0
|
SG
|
C:CYS90
|
4.3
|
22.0
|
0.4
|
CA
|
C:HIS92
|
4.4
|
24.9
|
1.0
|
CA
|
C:GLY94
|
4.4
|
23.9
|
1.0
|
CZ2
|
C:TRP89
|
4.5
|
24.0
|
0.5
|
O
|
C:CYS90
|
4.5
|
23.6
|
1.0
|
CE3
|
C:TRP89
|
4.5
|
23.0
|
0.5
|
CG
|
B:ARG100
|
4.6
|
21.8
|
1.0
|
N
|
C:CYS90
|
4.6
|
23.0
|
1.0
|
CD
|
B:ARG100
|
4.6
|
23.5
|
1.0
|
N
|
C:ASP93
|
4.9
|
24.5
|
1.0
|
|
Mercury binding site 4 out
of 4 in 1xpj
Go back to
Mercury Binding Sites List in 1xpj
Mercury binding site 4 out
of 4 in the Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 4 of Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Hg404
b:65.5
occ:0.40
|
SG
|
D:CYS90
|
2.3
|
22.5
|
0.6
|
O
|
D:GLY91
|
2.7
|
24.9
|
1.0
|
O
|
D:GLY94
|
3.4
|
24.8
|
1.0
|
NH1
|
A:ARG100
|
3.5
|
26.6
|
0.5
|
NE
|
A:ARG100
|
3.6
|
21.7
|
0.5
|
C
|
D:GLY91
|
3.8
|
24.0
|
1.0
|
CB
|
D:CYS90
|
3.8
|
21.9
|
1.0
|
CZ3
|
D:TRP89
|
3.9
|
23.0
|
0.5
|
CG
|
A:ARG100
|
4.0
|
22.7
|
0.5
|
C
|
D:GLY94
|
4.0
|
24.5
|
1.0
|
CZ
|
A:ARG100
|
4.0
|
25.6
|
0.5
|
CG
|
A:ARG100
|
4.1
|
22.1
|
0.5
|
O
|
D:HIS92
|
4.1
|
24.7
|
1.0
|
N
|
D:GLY91
|
4.2
|
23.2
|
1.0
|
CD
|
A:ARG100
|
4.2
|
21.9
|
0.5
|
CH2
|
D:TRP89
|
4.2
|
23.4
|
0.5
|
CZ
|
A:ARG100
|
4.3
|
21.8
|
0.5
|
N
|
D:GLY94
|
4.3
|
24.7
|
1.0
|
C
|
D:CYS90
|
4.3
|
22.9
|
1.0
|
SG
|
D:CYS90
|
4.4
|
26.2
|
0.4
|
NH2
|
A:ARG100
|
4.4
|
21.4
|
0.5
|
O
|
D:HOH457
|
4.4
|
49.7
|
1.0
|
C
|
D:HIS92
|
4.5
|
24.8
|
1.0
|
NE
|
A:ARG100
|
4.5
|
25.2
|
0.5
|
CA
|
D:GLY94
|
4.5
|
24.4
|
1.0
|
CA
|
D:CYS90
|
4.5
|
22.9
|
1.0
|
CD
|
A:ARG100
|
4.5
|
23.8
|
0.5
|
CE3
|
D:TRP89
|
4.6
|
22.6
|
0.5
|
CA
|
D:GLY91
|
4.7
|
23.7
|
1.0
|
NH2
|
A:ARG100
|
4.7
|
25.5
|
0.5
|
CB
|
A:ARG100
|
4.7
|
21.8
|
1.0
|
N
|
D:HIS92
|
4.8
|
24.5
|
1.0
|
CA
|
D:HIS92
|
4.8
|
24.9
|
1.0
|
N
|
D:CYS90
|
4.8
|
22.5
|
1.0
|
N
|
D:PHE95
|
4.9
|
24.0
|
1.0
|
O
|
D:CYS90
|
4.9
|
22.9
|
1.0
|
|
Reference:
J.S.Brunzelle,
G.Minasov,
L.Shuvalova,
F.R.Collart,
W.F.Anderson,
Midwest Center For Structural Genomics (Mcsg).
Crystal Structure of Mcsg Target APC26283 From Vibrio Cholerae To Be Published.
Page generated: Sun Aug 11 01:52:04 2024
|