Chlorine in PDB 4qb7: Crystal Structure of A Hypothetical Protein (BVU_2522) From Bacteroides Vulgatus Atcc 8482 at 2.55 A Resolution (Psi Community Target, Nakayama)
Protein crystallography data
The structure of Crystal Structure of A Hypothetical Protein (BVU_2522) From Bacteroides Vulgatus Atcc 8482 at 2.55 A Resolution (Psi Community Target, Nakayama), PDB code: 4qb7
was solved by
Joint Center For Structural Genomics (Jcsg),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
46.61 /
2.55
|
Space group
|
I 2 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
54.220,
186.120,
211.830,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
16.8 /
19.7
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of A Hypothetical Protein (BVU_2522) From Bacteroides Vulgatus Atcc 8482 at 2.55 A Resolution (Psi Community Target, Nakayama)
(pdb code 4qb7). 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 Hypothetical Protein (BVU_2522) From Bacteroides Vulgatus Atcc 8482 at 2.55 A Resolution (Psi Community Target, Nakayama), PDB code: 4qb7:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
Chlorine binding site 1 out
of 6 in 4qb7
Go back to
Chlorine Binding Sites List in 4qb7
Chlorine binding site 1 out
of 6 in the Crystal Structure of A Hypothetical Protein (BVU_2522) From Bacteroides Vulgatus Atcc 8482 at 2.55 A Resolution (Psi Community Target, Nakayama)
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 Hypothetical Protein (BVU_2522) From Bacteroides Vulgatus Atcc 8482 at 2.55 A Resolution (Psi Community Target, Nakayama) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl418
b:81.2
occ:1.00
|
O
|
A:ASN271
|
3.5
|
47.2
|
1.0
|
N
|
A:ASP274
|
3.6
|
45.8
|
1.0
|
OG1
|
A:THR279
|
3.7
|
41.2
|
1.0
|
CB
|
A:ASP274
|
3.7
|
48.3
|
1.0
|
N
|
A:SER273
|
3.9
|
40.2
|
1.0
|
OD1
|
A:ASN271
|
3.9
|
51.3
|
1.0
|
O
|
A:HOH556
|
4.1
|
46.7
|
1.0
|
CG
|
A:ASN271
|
4.2
|
53.1
|
1.0
|
C
|
A:ASN271
|
4.2
|
44.9
|
1.0
|
CA
|
A:ASP274
|
4.3
|
46.2
|
1.0
|
O
|
A:HOH637
|
4.3
|
57.9
|
1.0
|
C
|
A:VAL272
|
4.4
|
42.6
|
1.0
|
C
|
A:SER273
|
4.4
|
48.9
|
1.0
|
CA
|
A:SER273
|
4.5
|
40.5
|
1.0
|
CA
|
A:VAL272
|
4.6
|
38.0
|
1.0
|
O
|
A:HOH534
|
4.6
|
47.6
|
1.0
|
ND2
|
A:ASN271
|
4.6
|
49.7
|
1.0
|
CB
|
A:ASN271
|
4.7
|
40.7
|
1.0
|
N
|
A:VAL272
|
4.7
|
39.4
|
1.0
|
CB
|
A:SER273
|
4.7
|
42.3
|
1.0
|
O
|
A:HOH509
|
4.7
|
42.1
|
1.0
|
O
|
A:HOH633
|
4.8
|
58.7
|
1.0
|
CB
|
A:THR279
|
4.8
|
38.4
|
1.0
|
CG
|
A:ASP274
|
4.8
|
58.1
|
1.0
|
OD2
|
A:ASP274
|
4.9
|
69.6
|
1.0
|
CG2
|
A:THR279
|
4.9
|
31.2
|
1.0
|
|
Chlorine binding site 2 out
of 6 in 4qb7
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Chlorine Binding Sites List in 4qb7
Chlorine binding site 2 out
of 6 in the Crystal Structure of A Hypothetical Protein (BVU_2522) From Bacteroides Vulgatus Atcc 8482 at 2.55 A Resolution (Psi Community Target, Nakayama)
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 Hypothetical Protein (BVU_2522) From Bacteroides Vulgatus Atcc 8482 at 2.55 A Resolution (Psi Community Target, Nakayama) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl419
b:80.1
occ:1.00
|
N
|
A:THR259
|
3.5
|
51.0
|
1.0
|
CB
|
A:THR258
|
3.7
|
52.0
|
1.0
|
OG1
|
A:THR259
|
3.7
|
64.3
|
1.0
|
CA
|
A:THR258
|
3.8
|
46.2
|
1.0
|
CG2
|
A:THR258
|
3.9
|
46.7
|
1.0
|
CG2
|
A:THR259
|
4.0
|
56.6
|
1.0
|
C
|
A:THR258
|
4.1
|
52.2
|
1.0
|
O
|
A:HOH705
|
4.3
|
67.3
|
1.0
|
CB
|
A:THR259
|
4.3
|
60.4
|
1.0
|
CA
|
A:THR259
|
4.5
|
51.4
|
1.0
|
OG1
|
A:THR258
|
5.0
|
52.8
|
1.0
|
|
Chlorine binding site 3 out
of 6 in 4qb7
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Chlorine Binding Sites List in 4qb7
Chlorine binding site 3 out
of 6 in the Crystal Structure of A Hypothetical Protein (BVU_2522) From Bacteroides Vulgatus Atcc 8482 at 2.55 A Resolution (Psi Community Target, Nakayama)
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 Hypothetical Protein (BVU_2522) From Bacteroides Vulgatus Atcc 8482 at 2.55 A Resolution (Psi Community Target, Nakayama) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl420
b:90.3
occ:1.00
|
N
|
A:THR150
|
3.1
|
51.6
|
1.0
|
OG1
|
A:THR150
|
3.3
|
52.0
|
1.0
|
CA
|
A:LYS149
|
3.8
|
49.2
|
1.0
|
N
|
A:SER151
|
3.9
|
53.1
|
1.0
|
CE
|
A:LYS130
|
3.9
|
74.6
|
1.0
|
C
|
A:LYS149
|
4.0
|
52.5
|
1.0
|
O
|
A:VAL148
|
4.0
|
51.6
|
1.0
|
CA
|
A:THR150
|
4.0
|
51.3
|
1.0
|
CB
|
A:THR150
|
4.2
|
53.2
|
1.0
|
C
|
A:THR150
|
4.4
|
56.3
|
1.0
|
CB
|
A:SER151
|
4.6
|
56.2
|
1.0
|
CG
|
A:LYS149
|
4.6
|
58.9
|
1.0
|
CG2
|
A:THR150
|
4.7
|
52.9
|
1.0
|
CD
|
A:LYS130
|
4.7
|
62.5
|
1.0
|
NZ
|
A:LYS130
|
4.8
|
89.3
|
1.0
|
O
|
A:HOH642
|
4.8
|
59.6
|
1.0
|
CA
|
A:SER151
|
4.8
|
52.7
|
1.0
|
N
|
A:LYS149
|
4.8
|
49.6
|
1.0
|
CB
|
A:LYS149
|
4.8
|
50.9
|
1.0
|
OG
|
A:SER151
|
4.8
|
69.8
|
1.0
|
C
|
A:VAL148
|
4.8
|
51.5
|
1.0
|
OE2
|
A:GLU147
|
5.0
|
77.8
|
1.0
|
|
Chlorine binding site 4 out
of 6 in 4qb7
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Chlorine Binding Sites List in 4qb7
Chlorine binding site 4 out
of 6 in the Crystal Structure of A Hypothetical Protein (BVU_2522) From Bacteroides Vulgatus Atcc 8482 at 2.55 A Resolution (Psi Community Target, Nakayama)
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 Hypothetical Protein (BVU_2522) From Bacteroides Vulgatus Atcc 8482 at 2.55 A Resolution (Psi Community Target, Nakayama) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl421
b:79.9
occ:1.00
|
N
|
A:GLU248
|
3.4
|
48.6
|
1.0
|
CA
|
A:THR247
|
3.9
|
48.4
|
1.0
|
CB
|
A:THR247
|
3.9
|
53.3
|
1.0
|
O
|
A:HOH771
|
4.0
|
77.0
|
1.0
|
CB
|
A:GLU248
|
4.1
|
48.6
|
1.0
|
C
|
A:THR247
|
4.1
|
50.5
|
1.0
|
CG
|
A:GLU248
|
4.1
|
58.2
|
1.0
|
CG2
|
A:THR247
|
4.3
|
43.4
|
1.0
|
CA
|
A:GLU248
|
4.3
|
47.3
|
1.0
|
CD
|
A:GLU248
|
4.7
|
77.2
|
1.0
|
O
|
A:HOH638
|
4.8
|
56.8
|
1.0
|
OE1
|
A:GLU248
|
4.8
|
70.1
|
1.0
|
|
Chlorine binding site 5 out
of 6 in 4qb7
Go back to
Chlorine Binding Sites List in 4qb7
Chlorine binding site 5 out
of 6 in the Crystal Structure of A Hypothetical Protein (BVU_2522) From Bacteroides Vulgatus Atcc 8482 at 2.55 A Resolution (Psi Community Target, Nakayama)
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 Hypothetical Protein (BVU_2522) From Bacteroides Vulgatus Atcc 8482 at 2.55 A Resolution (Psi Community Target, Nakayama) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl422
b:84.7
occ:1.00
|
N
|
A:ALA302
|
3.3
|
53.9
|
1.0
|
O
|
A:HOH743
|
3.3
|
71.4
|
1.0
|
CB
|
A:ALA302
|
3.7
|
53.3
|
1.0
|
CD
|
A:LYS336
|
3.9
|
59.7
|
1.0
|
CA
|
A:ASN301
|
4.0
|
53.7
|
1.0
|
CA
|
A:ALA302
|
4.1
|
52.3
|
1.0
|
C
|
A:ASN301
|
4.2
|
57.9
|
1.0
|
CB
|
A:LYS336
|
4.2
|
51.3
|
1.0
|
CG
|
A:LYS336
|
4.2
|
51.7
|
1.0
|
CB
|
A:ASN301
|
4.4
|
52.8
|
1.0
|
O
|
A:HOH695
|
4.5
|
64.0
|
1.0
|
CE
|
A:LYS336
|
4.7
|
77.4
|
1.0
|
ND2
|
A:ASN301
|
4.7
|
56.3
|
1.0
|
|
Chlorine binding site 6 out
of 6 in 4qb7
Go back to
Chlorine Binding Sites List in 4qb7
Chlorine binding site 6 out
of 6 in the Crystal Structure of A Hypothetical Protein (BVU_2522) From Bacteroides Vulgatus Atcc 8482 at 2.55 A Resolution (Psi Community Target, Nakayama)
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 Hypothetical Protein (BVU_2522) From Bacteroides Vulgatus Atcc 8482 at 2.55 A Resolution (Psi Community Target, Nakayama) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl423
b:92.4
occ:1.00
|
N
|
A:SER219
|
3.2
|
56.5
|
1.0
|
OG1
|
A:THR221
|
3.2
|
53.4
|
1.0
|
N
|
A:THR220
|
3.3
|
55.2
|
1.0
|
OG
|
A:SER219
|
3.6
|
78.8
|
1.0
|
OG1
|
A:THR220
|
3.8
|
68.1
|
1.0
|
CA
|
A:GLY218
|
3.9
|
53.6
|
1.0
|
O
|
A:HOH757
|
3.9
|
71.3
|
1.0
|
C
|
A:GLY218
|
4.0
|
59.4
|
1.0
|
CA
|
A:SER219
|
4.1
|
57.1
|
1.0
|
C
|
A:SER219
|
4.2
|
60.7
|
1.0
|
CA
|
A:THR220
|
4.2
|
54.7
|
1.0
|
C
|
A:THR220
|
4.3
|
55.5
|
1.0
|
N
|
A:THR221
|
4.3
|
49.1
|
1.0
|
CB
|
A:THR221
|
4.4
|
51.6
|
1.0
|
CB
|
A:SER219
|
4.4
|
63.7
|
1.0
|
CB
|
A:THR220
|
4.6
|
63.6
|
1.0
|
O
|
A:PRO217
|
4.8
|
54.0
|
1.0
|
O
|
A:THR220
|
4.9
|
55.8
|
1.0
|
CA
|
A:THR221
|
5.0
|
47.0
|
1.0
|
|
Reference:
Joint Center For Structural Genomics (Jcsg),
Joint Center For Structural Genomics (Jcsg).
N/A N/A.
Page generated: Fri Jul 26 00:24:11 2024
|