Chlorine in PDB 2gjv: Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium
Protein crystallography data
The structure of Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium, PDB code: 2gjv
was solved by
G.Minasov,
L.Shuvalova,
J.S.Brunzelle,
I.I.Vorontsov,
F.R.Collart,
A.Joachimiak,
W.F.Anderson,
Midwest Center For Structural Genomics(Mcsg),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
27.90 /
2.39
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
134.137,
76.995,
85.112,
90.00,
109.25,
90.00
|
R / Rfree (%)
|
16.8 /
24.9
|
Other elements in 2gjv:
The structure of Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium
(pdb code 2gjv). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the
Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium, PDB code: 2gjv:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
Chlorine binding site 1 out
of 6 in 2gjv
Go back to
Chlorine Binding Sites List in 2gjv
Chlorine binding site 1 out
of 6 in the Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl152
b:40.5
occ:1.00
|
O
|
A:HOH257
|
2.8
|
32.0
|
1.0
|
O
|
A:HOH165
|
2.8
|
18.8
|
1.0
|
N
|
A:ASP20
|
3.0
|
30.0
|
1.0
|
CA
|
A:ASP20
|
3.4
|
31.4
|
1.0
|
CB
|
A:ASP20
|
3.4
|
31.6
|
1.0
|
C
|
A:ASN18
|
3.6
|
26.8
|
1.0
|
C
|
A:ASP20
|
3.6
|
31.5
|
1.0
|
CA
|
A:ASN18
|
3.7
|
26.2
|
1.0
|
O
|
A:ASN18
|
3.9
|
26.4
|
1.0
|
N
|
A:MET21
|
3.9
|
31.6
|
1.0
|
CB
|
A:ASN18
|
3.9
|
25.6
|
1.0
|
N
|
A:PRO19
|
3.9
|
27.5
|
1.0
|
O
|
A:ASP20
|
4.2
|
31.3
|
1.0
|
C
|
A:PRO19
|
4.2
|
29.1
|
1.0
|
CG
|
A:MET21
|
4.2
|
32.6
|
1.0
|
CD
|
A:PRO19
|
4.4
|
27.1
|
1.0
|
OD1
|
A:ASN18
|
4.4
|
25.4
|
1.0
|
CA
|
A:PRO19
|
4.6
|
28.2
|
1.0
|
CG
|
A:ASN18
|
4.7
|
26.9
|
1.0
|
CG
|
A:ASP20
|
4.8
|
34.6
|
1.0
|
CA
|
A:MET21
|
4.8
|
32.4
|
1.0
|
CB
|
A:MET21
|
4.8
|
32.3
|
1.0
|
CG
|
A:PRO19
|
4.9
|
27.9
|
1.0
|
|
Chlorine binding site 2 out
of 6 in 2gjv
Go back to
Chlorine Binding Sites List in 2gjv
Chlorine binding site 2 out
of 6 in the Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl152
b:44.6
occ:1.00
|
O
|
B:HOH203
|
2.8
|
26.1
|
1.0
|
O
|
B:HOH191
|
2.9
|
27.6
|
1.0
|
N
|
B:ASP20
|
3.0
|
27.8
|
1.0
|
C
|
B:ASN18
|
3.5
|
24.8
|
1.0
|
N
|
B:PRO19
|
3.5
|
25.0
|
1.0
|
CB
|
B:ASP20
|
3.5
|
29.6
|
1.0
|
CA
|
B:ASN18
|
3.6
|
24.0
|
1.0
|
CD
|
B:PRO19
|
3.7
|
24.4
|
1.0
|
CA
|
B:ASP20
|
3.7
|
29.5
|
1.0
|
O
|
B:ASN18
|
3.9
|
25.2
|
1.0
|
C
|
B:PRO19
|
4.1
|
26.4
|
1.0
|
CB
|
B:ASN18
|
4.1
|
23.5
|
1.0
|
N
|
B:MET21
|
4.1
|
29.6
|
1.0
|
CG
|
B:ASP20
|
4.1
|
33.7
|
1.0
|
CG
|
B:PRO19
|
4.1
|
24.6
|
1.0
|
C
|
B:ASP20
|
4.2
|
29.8
|
1.0
|
OD2
|
B:ASP20
|
4.2
|
36.7
|
1.0
|
CA
|
B:PRO19
|
4.3
|
25.7
|
1.0
|
CG
|
B:MET21
|
4.6
|
29.4
|
1.0
|
OD1
|
B:ASN18
|
4.8
|
20.4
|
1.0
|
CB
|
B:PRO19
|
4.9
|
25.5
|
1.0
|
OD1
|
B:ASP20
|
4.9
|
36.0
|
1.0
|
N
|
B:ASN18
|
5.0
|
24.5
|
1.0
|
CG
|
B:ASN18
|
5.0
|
21.9
|
1.0
|
|
Chlorine binding site 3 out
of 6 in 2gjv
Go back to
Chlorine Binding Sites List in 2gjv
Chlorine binding site 3 out
of 6 in the Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl152
b:35.9
occ:1.00
|
N
|
C:ASP20
|
3.0
|
26.0
|
1.0
|
C
|
C:ASN18
|
3.4
|
24.5
|
1.0
|
CA
|
C:ASN18
|
3.5
|
24.4
|
1.0
|
N
|
C:PRO19
|
3.5
|
24.6
|
1.0
|
CB
|
C:ASP20
|
3.5
|
27.3
|
1.0
|
CD
|
C:PRO19
|
3.6
|
25.0
|
1.0
|
CA
|
C:ASP20
|
3.6
|
27.1
|
1.0
|
CB
|
C:ASN18
|
3.9
|
23.7
|
1.0
|
O
|
C:ASN18
|
4.0
|
25.1
|
1.0
|
N
|
C:MET21
|
4.1
|
28.5
|
1.0
|
C
|
C:ASP20
|
4.1
|
27.9
|
1.0
|
C
|
C:PRO19
|
4.1
|
25.0
|
1.0
|
CG
|
C:PRO19
|
4.1
|
23.9
|
1.0
|
CG
|
C:ASP20
|
4.3
|
29.5
|
1.0
|
CA
|
C:PRO19
|
4.3
|
24.8
|
1.0
|
OD2
|
C:ASP20
|
4.4
|
32.8
|
1.0
|
CG
|
C:MET21
|
4.6
|
29.9
|
1.0
|
OD1
|
C:ASN18
|
4.6
|
25.7
|
1.0
|
N
|
C:ASN18
|
4.8
|
25.4
|
1.0
|
CG
|
C:ASN18
|
4.8
|
25.3
|
1.0
|
O
|
C:LEU17
|
4.9
|
25.0
|
1.0
|
O
|
C:ASP20
|
4.9
|
27.3
|
1.0
|
CB
|
C:PRO19
|
4.9
|
24.6
|
1.0
|
|
Chlorine binding site 4 out
of 6 in 2gjv
Go back to
Chlorine Binding Sites List in 2gjv
Chlorine binding site 4 out
of 6 in the Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl152
b:48.6
occ:1.00
|
O
|
D:HOH251
|
2.7
|
24.5
|
1.0
|
O
|
D:HOH256
|
2.9
|
25.0
|
1.0
|
N
|
D:ASP20
|
3.2
|
27.5
|
1.0
|
C
|
D:ASN18
|
3.4
|
24.2
|
1.0
|
N
|
D:PRO19
|
3.5
|
25.1
|
1.0
|
CA
|
D:ASN18
|
3.5
|
24.1
|
1.0
|
CD
|
D:PRO19
|
3.5
|
24.7
|
1.0
|
CB
|
D:ASP20
|
3.5
|
29.5
|
1.0
|
O
|
D:HOH257
|
3.5
|
30.8
|
1.0
|
CA
|
D:ASP20
|
3.8
|
29.0
|
1.0
|
O
|
D:ASN18
|
3.9
|
24.8
|
1.0
|
OD2
|
D:ASP20
|
4.0
|
35.9
|
1.0
|
CB
|
D:ASN18
|
4.0
|
23.5
|
1.0
|
CG
|
D:PRO19
|
4.0
|
25.3
|
1.0
|
CG
|
D:ASP20
|
4.0
|
32.5
|
1.0
|
C
|
D:PRO19
|
4.2
|
26.7
|
1.0
|
N
|
D:MET21
|
4.3
|
29.5
|
1.0
|
CA
|
D:PRO19
|
4.3
|
25.9
|
1.0
|
C
|
D:ASP20
|
4.5
|
28.9
|
1.0
|
OD1
|
D:ASN18
|
4.6
|
27.9
|
1.0
|
N
|
D:ASN18
|
4.8
|
23.6
|
1.0
|
CG
|
D:ASN18
|
4.8
|
24.9
|
1.0
|
O
|
D:LEU17
|
4.8
|
22.7
|
1.0
|
CG
|
D:MET21
|
4.8
|
29.1
|
1.0
|
CB
|
D:PRO19
|
4.9
|
25.7
|
1.0
|
|
Chlorine binding site 5 out
of 6 in 2gjv
Go back to
Chlorine Binding Sites List in 2gjv
Chlorine binding site 5 out
of 6 in the Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl152
b:38.9
occ:1.00
|
O
|
E:HOH228
|
2.9
|
34.1
|
1.0
|
N
|
E:ASP20
|
3.2
|
27.1
|
1.0
|
O
|
E:HOH193
|
3.5
|
44.0
|
1.0
|
C
|
E:ASN18
|
3.5
|
24.8
|
1.0
|
CA
|
E:ASN18
|
3.5
|
25.1
|
1.0
|
N
|
E:PRO19
|
3.5
|
24.9
|
1.0
|
CD
|
E:PRO19
|
3.6
|
24.9
|
1.0
|
CB
|
E:ASP20
|
3.6
|
28.5
|
1.0
|
CA
|
E:ASP20
|
3.9
|
28.3
|
1.0
|
CB
|
E:ASN18
|
4.0
|
25.4
|
1.0
|
O
|
E:ASN18
|
4.1
|
23.9
|
1.0
|
CG
|
E:PRO19
|
4.1
|
25.0
|
1.0
|
C
|
E:PRO19
|
4.3
|
26.3
|
1.0
|
CG
|
E:ASP20
|
4.3
|
29.7
|
1.0
|
N
|
E:MET21
|
4.3
|
29.1
|
1.0
|
C
|
E:ASP20
|
4.4
|
28.9
|
1.0
|
CA
|
E:PRO19
|
4.4
|
25.6
|
1.0
|
OD2
|
E:ASP20
|
4.5
|
30.9
|
1.0
|
OD1
|
E:ASN18
|
4.7
|
28.2
|
1.0
|
CG
|
E:MET21
|
4.7
|
31.1
|
1.0
|
N
|
E:ASN18
|
4.8
|
25.5
|
1.0
|
O
|
E:LEU17
|
4.8
|
25.3
|
1.0
|
CG
|
E:ASN18
|
4.9
|
26.8
|
1.0
|
CB
|
E:PRO19
|
5.0
|
25.2
|
1.0
|
|
Chlorine binding site 6 out
of 6 in 2gjv
Go back to
Chlorine Binding Sites List in 2gjv
Chlorine binding site 6 out
of 6 in the Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Crystal Structure of A Protein of Unknown Function From Salmonella Typhimurium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Cl152
b:54.8
occ:1.00
|
N
|
F:ASP20
|
3.2
|
28.2
|
1.0
|
CB
|
F:ASP20
|
3.3
|
29.6
|
1.0
|
C
|
F:ASN18
|
3.4
|
25.8
|
1.0
|
CA
|
F:ASN18
|
3.5
|
25.2
|
1.0
|
CA
|
F:ASP20
|
3.7
|
29.3
|
1.0
|
N
|
F:PRO19
|
3.7
|
26.0
|
1.0
|
CG
|
F:ASP20
|
3.7
|
32.6
|
1.0
|
CB
|
F:ASN18
|
3.8
|
24.3
|
1.0
|
OD2
|
F:ASP20
|
3.8
|
34.5
|
1.0
|
O
|
F:ASN18
|
3.8
|
26.7
|
1.0
|
CD
|
F:PRO19
|
3.9
|
26.4
|
1.0
|
N
|
F:MET21
|
4.1
|
28.7
|
1.0
|
C
|
F:ASP20
|
4.2
|
28.7
|
1.0
|
C
|
F:PRO19
|
4.3
|
27.3
|
1.0
|
OD1
|
F:ASN18
|
4.3
|
23.4
|
1.0
|
CG
|
F:PRO19
|
4.5
|
25.7
|
1.0
|
OD1
|
F:ASP20
|
4.5
|
35.0
|
1.0
|
CA
|
F:PRO19
|
4.5
|
26.5
|
1.0
|
CG
|
F:ASN18
|
4.6
|
25.0
|
1.0
|
CG
|
F:MET21
|
4.6
|
30.1
|
1.0
|
N
|
F:ASN18
|
4.8
|
25.0
|
1.0
|
O
|
F:LEU17
|
4.8
|
25.3
|
1.0
|
|
Reference:
G.Minasov,
L.Shuvalova,
J.S.Brunzelle,
I.I.Vorontsov,
F.R.Collart,
W.F.Anderson.
Crystal Structure of A Hypothetical Protein From Salmonella Typhimurium To Be Published.
Page generated: Sat Jul 20 07:31:05 2024
|