Chlorine in PDB 4mjf: Crystal Structure of A Hypothetical Protein (BVU_2238) From Bacteroides Vulgatus Atcc 8482 at 1.99 A Resolution
Protein crystallography data
The structure of Crystal Structure of A Hypothetical Protein (BVU_2238) From Bacteroides Vulgatus Atcc 8482 at 1.99 A Resolution, PDB code: 4mjf
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)
|
48.09 /
1.99
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
64.719,
71.913,
65.504,
90.00,
92.31,
90.00
|
R / Rfree (%)
|
19.1 /
22
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of A Hypothetical Protein (BVU_2238) From Bacteroides Vulgatus Atcc 8482 at 1.99 A Resolution
(pdb code 4mjf). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the
Crystal Structure of A Hypothetical Protein (BVU_2238) From Bacteroides Vulgatus Atcc 8482 at 1.99 A Resolution, PDB code: 4mjf:
Jump to Chlorine binding site number:
1;
2;
3;
4;
Chlorine binding site 1 out
of 4 in 4mjf
Go back to
Chlorine Binding Sites List in 4mjf
Chlorine binding site 1 out
of 4 in the Crystal Structure of A Hypothetical Protein (BVU_2238) From Bacteroides Vulgatus Atcc 8482 at 1.99 A Resolution
 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_2238) From Bacteroides Vulgatus Atcc 8482 at 1.99 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl311
b:87.7
occ:1.00
|
O
|
A:HIS198
|
3.6
|
49.0
|
1.0
|
O
|
A:LEU219
|
3.8
|
56.2
|
1.0
|
O
|
A:HOH437
|
3.8
|
54.6
|
1.0
|
OE1
|
A:GLU199
|
4.0
|
0.7
|
1.0
|
CB
|
A:LEU201
|
4.0
|
45.6
|
1.0
|
CB
|
A:LEU197
|
4.1
|
42.4
|
1.0
|
CD
|
A:GLU199
|
4.3
|
0.9
|
1.0
|
O
|
A:HOH438
|
4.3
|
68.0
|
1.0
|
OE2
|
A:GLU199
|
4.4
|
0.3
|
1.0
|
CD1
|
A:LEU197
|
4.4
|
46.8
|
1.0
|
N
|
A:LEU201
|
4.5
|
50.2
|
1.0
|
N
|
A:ALA221
|
4.5
|
50.6
|
1.0
|
O
|
A:HOH516
|
4.6
|
65.3
|
1.0
|
C
|
A:HIS198
|
4.6
|
51.1
|
1.0
|
O
|
A:LEU197
|
4.7
|
52.1
|
1.0
|
CA
|
A:GLU199
|
4.7
|
52.3
|
1.0
|
CA
|
A:LEU201
|
4.9
|
47.4
|
1.0
|
C
|
A:LEU197
|
4.9
|
49.9
|
1.0
|
C
|
A:LEU219
|
4.9
|
55.9
|
1.0
|
CA
|
A:ALA221
|
4.9
|
49.8
|
1.0
|
CB
|
A:GLU199
|
4.9
|
55.6
|
1.0
|
C
|
A:GLU220
|
4.9
|
53.8
|
1.0
|
CG
|
A:LEU197
|
5.0
|
46.0
|
1.0
|
|
Chlorine binding site 2 out
of 4 in 4mjf
Go back to
Chlorine Binding Sites List in 4mjf
Chlorine binding site 2 out
of 4 in the Crystal Structure of A Hypothetical Protein (BVU_2238) From Bacteroides Vulgatus Atcc 8482 at 1.99 A Resolution
 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_2238) From Bacteroides Vulgatus Atcc 8482 at 1.99 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl312
b:83.4
occ:1.00
|
N
|
A:HIS273
|
3.1
|
49.2
|
1.0
|
ND1
|
A:HIS273
|
3.8
|
58.2
|
1.0
|
CA
|
A:HIS273
|
3.9
|
49.6
|
1.0
|
CE1
|
A:HIS273
|
3.9
|
59.4
|
1.0
|
O
|
A:HOH440
|
4.0
|
47.6
|
1.0
|
C
|
A:ARG272
|
4.0
|
50.6
|
1.0
|
CA
|
A:ARG272
|
4.1
|
50.1
|
1.0
|
O
|
A:HOH491
|
4.1
|
89.2
|
1.0
|
CG
|
A:HIS273
|
4.1
|
57.2
|
1.0
|
NE2
|
A:HIS273
|
4.3
|
62.5
|
1.0
|
CD2
|
A:HIS273
|
4.3
|
61.8
|
1.0
|
O
|
A:ARG271
|
4.5
|
53.0
|
1.0
|
CB
|
A:HIS273
|
4.6
|
51.2
|
1.0
|
CB
|
A:ARG272
|
5.0
|
53.6
|
1.0
|
|
Chlorine binding site 3 out
of 4 in 4mjf
Go back to
Chlorine Binding Sites List in 4mjf
Chlorine binding site 3 out
of 4 in the Crystal Structure of A Hypothetical Protein (BVU_2238) From Bacteroides Vulgatus Atcc 8482 at 1.99 A Resolution
 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_2238) From Bacteroides Vulgatus Atcc 8482 at 1.99 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl313
b:84.5
occ:0.50
|
N
|
A:GLY222
|
3.4
|
49.1
|
1.0
|
CA
|
A:GLY222
|
4.0
|
47.6
|
1.0
|
CB
|
A:ALA221
|
4.2
|
51.4
|
1.0
|
O
|
A:HOH516
|
4.3
|
65.3
|
1.0
|
N
|
A:ALA221
|
4.3
|
50.6
|
1.0
|
CB
|
A:GLU220
|
4.4
|
55.5
|
1.0
|
C
|
A:ALA221
|
4.4
|
51.2
|
1.0
|
CA
|
A:ALA221
|
4.5
|
49.8
|
1.0
|
C
|
A:GLU220
|
4.8
|
53.8
|
1.0
|
|
Chlorine binding site 4 out
of 4 in 4mjf
Go back to
Chlorine Binding Sites List in 4mjf
Chlorine binding site 4 out
of 4 in the Crystal Structure of A Hypothetical Protein (BVU_2238) From Bacteroides Vulgatus Atcc 8482 at 1.99 A Resolution
 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_2238) From Bacteroides Vulgatus Atcc 8482 at 1.99 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl314
b:59.4
occ:1.00
|
NE2
|
A:GLN111
|
3.8
|
71.0
|
1.0
|
O
|
A:ASN235
|
3.9
|
42.4
|
1.0
|
CG2
|
A:THR115
|
4.0
|
33.0
|
1.0
|
N
|
A:THR237
|
4.0
|
37.8
|
1.0
|
OG1
|
A:THR115
|
4.0
|
36.1
|
1.0
|
N
|
A:THR115
|
4.0
|
38.2
|
1.0
|
CA
|
A:TYR114
|
4.1
|
35.8
|
1.0
|
CG
|
A:PRO232
|
4.1
|
48.4
|
1.0
|
CA
|
A:LEU236
|
4.1
|
39.3
|
1.0
|
OG1
|
A:THR237
|
4.1
|
40.7
|
1.0
|
OE1
|
A:GLN111
|
4.2
|
96.9
|
1.0
|
CG2
|
A:THR237
|
4.2
|
37.8
|
1.0
|
O
|
A:ALA113
|
4.3
|
44.9
|
1.0
|
C
|
A:LEU236
|
4.3
|
42.0
|
1.0
|
CB
|
A:PRO232
|
4.3
|
44.0
|
1.0
|
C
|
A:TYR114
|
4.4
|
39.5
|
1.0
|
CD
|
A:GLN111
|
4.5
|
94.9
|
1.0
|
CB
|
A:THR115
|
4.5
|
36.4
|
1.0
|
C
|
A:ASN235
|
4.6
|
44.1
|
1.0
|
CB
|
A:THR237
|
4.6
|
40.4
|
1.0
|
N
|
A:LEU236
|
4.8
|
39.3
|
1.0
|
N
|
A:TYR114
|
4.8
|
38.0
|
1.0
|
C
|
A:ALA113
|
4.9
|
45.3
|
1.0
|
CA
|
A:THR115
|
4.9
|
38.1
|
1.0
|
CA
|
A:THR237
|
4.9
|
37.5
|
1.0
|
CD2
|
A:LEU236
|
4.9
|
41.7
|
1.0
|
|
Reference:
Joint Center For Structural Genomics (Jcsg),
Joint Center For Structural Genomics (Jcsg).
N/A N/A.
Page generated: Sun Jul 21 19:56:27 2024
|