Chlorine in PDB 4lw9: Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg
Protein crystallography data
The structure of Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg, PDB code: 4lw9
was solved by
F.S.Vago,
K.Raghunathan,
J.C.Jens,
W.J.Wedemeyer,
M.Bagdasarian,
J.S.Brunzelle,
D.N.Arvidson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.54 /
1.90
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
88.610,
70.015,
131.544,
90.00,
103.29,
90.00
|
R / Rfree (%)
|
20.2 /
24.5
|
Other elements in 4lw9:
The structure of Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg
(pdb code 4lw9). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the
Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg, PDB code: 4lw9:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Chlorine binding site 1 out
of 9 in 4lw9
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Chlorine Binding Sites List in 4lw9
Chlorine binding site 1 out
of 9 in the Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg
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 Vibrio Cholera Major Pseudopilin Epsg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl206
b:40.6
occ:1.00
|
ND1
|
A:HIS143
|
1.8
|
39.0
|
1.0
|
CE1
|
A:HIS143
|
2.6
|
38.9
|
1.0
|
CG
|
A:HIS143
|
2.9
|
37.4
|
1.0
|
CB
|
A:HIS143
|
3.5
|
36.1
|
1.0
|
NE2
|
A:HIS143
|
3.8
|
38.0
|
1.0
|
CD2
|
A:HIS143
|
3.9
|
38.4
|
1.0
|
CA
|
A:HIS143
|
4.6
|
35.0
|
1.0
|
|
Chlorine binding site 2 out
of 9 in 4lw9
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Chlorine Binding Sites List in 4lw9
Chlorine binding site 2 out
of 9 in the Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg
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 Vibrio Cholera Major Pseudopilin Epsg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl207
b:33.3
occ:0.25
|
PT
|
B:PT206
|
3.1
|
37.4
|
0.2
|
CE
|
B:MET49
|
3.2
|
33.0
|
1.0
|
CB
|
B:MET49
|
3.4
|
23.1
|
1.0
|
CG
|
B:MET49
|
3.6
|
27.9
|
1.0
|
O
|
B:HOH354
|
3.7
|
31.6
|
1.0
|
OG1
|
A:THR38
|
3.8
|
21.8
|
1.0
|
SD
|
B:MET49
|
4.1
|
31.9
|
1.0
|
CG2
|
A:THR38
|
4.3
|
21.0
|
1.0
|
O
|
B:ASN45
|
4.3
|
17.6
|
1.0
|
CB
|
A:THR38
|
4.3
|
21.0
|
1.0
|
O
|
B:TYR84
|
4.4
|
30.9
|
1.0
|
CA
|
B:ALA46
|
4.5
|
16.4
|
1.0
|
C
|
B:ASN45
|
4.8
|
18.1
|
1.0
|
CG
|
A:GLN34
|
4.8
|
21.6
|
1.0
|
CA
|
B:MET49
|
4.8
|
19.8
|
1.0
|
CA
|
A:LYS35
|
4.9
|
21.1
|
1.0
|
N
|
B:ALA46
|
4.9
|
17.8
|
1.0
|
O
|
A:GLN34
|
4.9
|
18.9
|
1.0
|
|
Chlorine binding site 3 out
of 9 in 4lw9
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Chlorine Binding Sites List in 4lw9
Chlorine binding site 3 out
of 9 in the Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg
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 Vibrio Cholera Major Pseudopilin Epsg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl207
b:34.6
occ:0.25
|
PT
|
D:PT206
|
3.1
|
37.8
|
0.2
|
CE
|
D:MET49
|
3.2
|
35.4
|
1.0
|
CB
|
D:MET49
|
3.3
|
25.7
|
1.0
|
OG1
|
C:THR38
|
3.3
|
19.6
|
1.0
|
CG
|
D:MET49
|
3.6
|
29.3
|
1.0
|
O
|
D:ASN45
|
3.9
|
18.8
|
1.0
|
CB
|
C:THR38
|
4.0
|
19.2
|
1.0
|
O
|
D:HOH330
|
4.0
|
32.4
|
1.0
|
CG2
|
C:THR38
|
4.0
|
19.9
|
1.0
|
SD
|
D:MET49
|
4.1
|
34.2
|
1.0
|
CA
|
D:ALA46
|
4.3
|
17.4
|
1.0
|
CG
|
C:GLN34
|
4.3
|
21.6
|
1.0
|
C
|
D:ASN45
|
4.4
|
16.3
|
1.0
|
O
|
C:GLN34
|
4.5
|
20.7
|
1.0
|
N
|
D:ALA46
|
4.6
|
16.8
|
1.0
|
CA
|
D:MET49
|
4.6
|
22.8
|
1.0
|
O
|
D:TYR84
|
4.7
|
30.9
|
1.0
|
CA
|
C:LYS35
|
4.8
|
20.3
|
1.0
|
OE1
|
C:GLN34
|
4.8
|
24.4
|
1.0
|
C
|
C:GLN34
|
4.9
|
19.1
|
1.0
|
N
|
D:MET49
|
4.9
|
21.1
|
1.0
|
N
|
C:LYS35
|
5.0
|
20.5
|
1.0
|
|
Chlorine binding site 4 out
of 9 in 4lw9
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Chlorine Binding Sites List in 4lw9
Chlorine binding site 4 out
of 9 in the Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg
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 Vibrio Cholera Major Pseudopilin Epsg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl207
b:34.5
occ:0.25
|
PT
|
E:PT206
|
2.4
|
32.5
|
0.2
|
CE
|
E:MET49
|
3.1
|
37.6
|
1.0
|
SD
|
E:MET49
|
3.5
|
38.8
|
1.0
|
NE
|
E:ARG80
|
3.6
|
50.6
|
1.0
|
O
|
E:TYR84
|
3.8
|
34.7
|
1.0
|
CD
|
E:ARG80
|
3.9
|
49.7
|
1.0
|
CZ
|
E:ARG80
|
3.9
|
51.1
|
1.0
|
CA
|
E:TYR84
|
4.1
|
35.6
|
1.0
|
C
|
E:TYR84
|
4.3
|
35.3
|
1.0
|
NH1
|
E:ARG80
|
4.3
|
51.4
|
1.0
|
NH2
|
E:ARG80
|
4.4
|
51.1
|
1.0
|
CD1
|
E:TYR84
|
4.4
|
35.0
|
1.0
|
O
|
E:GLY83
|
4.5
|
37.7
|
1.0
|
O
|
E:HOH315
|
4.6
|
34.0
|
1.0
|
CB
|
E:TYR84
|
4.8
|
35.6
|
1.0
|
CL
|
E:CL208
|
4.8
|
30.9
|
0.2
|
CG
|
E:MET49
|
4.9
|
36.5
|
1.0
|
CB
|
E:MET49
|
4.9
|
35.1
|
1.0
|
|
Chlorine binding site 5 out
of 9 in 4lw9
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Chlorine Binding Sites List in 4lw9
Chlorine binding site 5 out
of 9 in the Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg
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 Vibrio Cholera Major Pseudopilin Epsg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl208
b:30.9
occ:0.25
|
PT
|
E:PT206
|
2.4
|
32.5
|
0.2
|
SD
|
E:MET49
|
3.1
|
38.8
|
1.0
|
CG
|
E:MET49
|
3.2
|
36.5
|
1.0
|
NH1
|
E:ARG80
|
3.3
|
51.4
|
1.0
|
NH2
|
E:ARG80
|
3.3
|
51.1
|
1.0
|
CB
|
F:GLN34
|
3.5
|
48.1
|
1.0
|
CB
|
E:MET49
|
3.6
|
35.1
|
1.0
|
CZ
|
E:ARG80
|
3.7
|
51.1
|
1.0
|
CG
|
F:GLN34
|
3.7
|
49.5
|
1.0
|
CA
|
E:MET49
|
4.3
|
33.9
|
1.0
|
CE
|
E:MET49
|
4.7
|
37.6
|
1.0
|
CD1
|
E:LEU52
|
4.8
|
40.9
|
1.0
|
O
|
E:MET49
|
4.8
|
32.3
|
1.0
|
NE
|
E:ARG80
|
4.8
|
50.6
|
1.0
|
CL
|
E:CL207
|
4.8
|
34.5
|
0.2
|
CA
|
F:GLN34
|
4.9
|
45.9
|
1.0
|
CD
|
F:GLN34
|
4.9
|
51.0
|
1.0
|
C
|
E:MET49
|
4.9
|
33.4
|
1.0
|
|
Chlorine binding site 6 out
of 9 in 4lw9
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Chlorine Binding Sites List in 4lw9
Chlorine binding site 6 out
of 9 in the Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg
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 Vibrio Cholera Major Pseudopilin Epsg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:Cl205
b:44.4
occ:1.00
|
O
|
K:HOH339
|
2.7
|
38.3
|
1.0
|
O
|
K:HOH332
|
2.8
|
31.6
|
1.0
|
N
|
K:LEU64
|
2.9
|
29.6
|
1.0
|
O
|
K:HOH338
|
3.0
|
41.2
|
1.0
|
CA
|
K:GLY63
|
3.3
|
31.0
|
1.0
|
C
|
K:GLY63
|
3.6
|
28.7
|
1.0
|
CG
|
K:LEU64
|
3.7
|
30.4
|
1.0
|
CB
|
K:LEU64
|
3.8
|
30.3
|
1.0
|
CA
|
K:LEU64
|
4.0
|
30.1
|
1.0
|
CB
|
K:TYR99
|
4.0
|
24.9
|
1.0
|
O
|
K:HOH324
|
4.0
|
33.8
|
1.0
|
O
|
K:HOH334
|
4.2
|
50.9
|
1.0
|
CD1
|
K:LEU64
|
4.3
|
29.7
|
1.0
|
CD2
|
K:TYR99
|
4.6
|
22.7
|
1.0
|
N
|
K:GLY63
|
4.6
|
32.0
|
1.0
|
CG
|
K:TYR99
|
4.7
|
25.1
|
1.0
|
N
|
K:GLU65
|
4.7
|
34.0
|
1.0
|
O
|
K:THR60
|
4.8
|
32.1
|
1.0
|
O
|
K:TYR97
|
4.8
|
29.4
|
1.0
|
O
|
K:GLY63
|
4.8
|
28.0
|
1.0
|
N
|
K:TYR99
|
4.8
|
27.1
|
1.0
|
C
|
K:LEU64
|
4.9
|
30.7
|
1.0
|
CA
|
K:TYR99
|
5.0
|
26.3
|
1.0
|
CD2
|
K:LEU64
|
5.0
|
28.6
|
1.0
|
|
Chlorine binding site 7 out
of 9 in 4lw9
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Chlorine Binding Sites List in 4lw9
Chlorine binding site 7 out
of 9 in the Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Cl206
b:30.7
occ:0.25
|
O
|
L:HOH360
|
3.0
|
48.2
|
1.0
|
OG1
|
L:THR38
|
3.3
|
29.2
|
1.0
|
CG2
|
L:THR38
|
3.6
|
26.3
|
1.0
|
CE
|
K:MET49
|
3.7
|
43.5
|
1.0
|
PT
|
K:PT207
|
3.7
|
46.0
|
0.2
|
CB
|
K:MET49
|
3.7
|
35.1
|
1.0
|
CB
|
L:THR38
|
3.8
|
25.7
|
1.0
|
O
|
K:ASN45
|
3.8
|
21.8
|
1.0
|
CA
|
K:ALA46
|
4.1
|
21.4
|
1.0
|
CG
|
K:MET49
|
4.1
|
39.1
|
1.0
|
C
|
K:ASN45
|
4.2
|
20.4
|
1.0
|
O
|
K:TYR84
|
4.2
|
36.8
|
1.0
|
N
|
K:ALA46
|
4.3
|
21.7
|
1.0
|
O
|
L:GLN34
|
4.7
|
30.2
|
1.0
|
CG
|
L:GLN34
|
4.7
|
29.9
|
1.0
|
SD
|
K:MET49
|
4.7
|
42.6
|
1.0
|
O
|
K:HOH315
|
4.7
|
24.8
|
1.0
|
CB
|
K:ALA46
|
4.8
|
22.1
|
1.0
|
CB
|
K:ASN45
|
4.8
|
22.2
|
1.0
|
OE1
|
L:GLN34
|
4.9
|
30.8
|
1.0
|
|
Chlorine binding site 8 out
of 9 in 4lw9
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Chlorine Binding Sites List in 4lw9
Chlorine binding site 8 out
of 9 in the Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:Cl203
b:45.6
occ:1.00
|
ND1
|
R:HIS143
|
1.7
|
47.0
|
1.0
|
CE1
|
R:HIS143
|
2.5
|
47.1
|
1.0
|
CG
|
R:HIS143
|
2.9
|
44.8
|
1.0
|
CB
|
R:HIS143
|
3.5
|
41.7
|
1.0
|
NE2
|
R:HIS143
|
3.7
|
48.1
|
1.0
|
CD2
|
R:HIS143
|
3.9
|
46.4
|
1.0
|
O
|
C:HOH353
|
4.1
|
29.8
|
1.0
|
CA
|
R:HIS143
|
4.6
|
38.9
|
1.0
|
|
Chlorine binding site 9 out
of 9 in 4lw9
Go back to
Chlorine Binding Sites List in 4lw9
Chlorine binding site 9 out
of 9 in the Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:Cl205
b:25.6
occ:0.25
|
PT
|
R:PT204
|
2.4
|
27.2
|
0.2
|
CB
|
R:MET49
|
3.2
|
26.7
|
1.0
|
CG
|
R:MET49
|
3.2
|
30.4
|
1.0
|
CE
|
R:MET49
|
3.5
|
33.8
|
1.0
|
SD
|
R:MET49
|
3.5
|
35.2
|
1.0
|
OG1
|
Q:THR38
|
3.9
|
20.0
|
1.0
|
O
|
R:ASN45
|
4.3
|
18.1
|
1.0
|
CG
|
Q:GLN34
|
4.3
|
22.5
|
1.0
|
CA
|
R:MET49
|
4.5
|
23.4
|
1.0
|
CB
|
Q:THR38
|
4.6
|
21.0
|
1.0
|
CA
|
Q:LYS35
|
4.7
|
23.4
|
1.0
|
N
|
Q:LYS35
|
4.7
|
22.3
|
1.0
|
O
|
Q:GLN34
|
4.7
|
21.8
|
1.0
|
C
|
Q:GLN34
|
4.8
|
21.8
|
1.0
|
CG2
|
Q:THR38
|
4.8
|
22.6
|
1.0
|
CA
|
R:ALA46
|
4.8
|
16.6
|
1.0
|
O
|
R:TYR84
|
4.9
|
25.2
|
1.0
|
C
|
R:ASN45
|
5.0
|
17.5
|
1.0
|
N
|
R:MET49
|
5.0
|
20.2
|
1.0
|
|
Reference:
F.S.Vago,
K.Raghunathan,
J.C.Jens,
W.J.Wedemeyer,
M.Bagdasarian,
J.S.Brunzelle,
D.N.Arvidson.
Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg To Be Published.
Page generated: Sun Jul 21 19:19:30 2024
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