Chlorine in PDB 4zr7: The Structure of A Domain of A Functionally Unknown Protein From Bacillus Subtilis Subsp. Subtilis Str. 168
Enzymatic activity of The Structure of A Domain of A Functionally Unknown Protein From Bacillus Subtilis Subsp. Subtilis Str. 168
All present enzymatic activity of The Structure of A Domain of A Functionally Unknown Protein From Bacillus Subtilis Subsp. Subtilis Str. 168:
2.7.13.3;
Protein crystallography data
The structure of The Structure of A Domain of A Functionally Unknown Protein From Bacillus Subtilis Subsp. Subtilis Str. 168, PDB code: 4zr7
was solved by
K.Tan,
H.Li,
R.Jedrzejczak,
A.Joachimiak,
Midwest Center For Structuralgenomics (Mcsg),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.35 /
1.86
|
Space group
|
P 43
|
Cell size a, b, c (Å), α, β, γ (°)
|
58.689,
58.689,
131.568,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17.1 /
24.5
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the The Structure of A Domain of A Functionally Unknown Protein From Bacillus Subtilis Subsp. Subtilis Str. 168
(pdb code 4zr7). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the
The Structure of A Domain of A Functionally Unknown Protein From Bacillus Subtilis Subsp. Subtilis Str. 168, PDB code: 4zr7:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Chlorine binding site 1 out
of 9 in 4zr7
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Chlorine Binding Sites List in 4zr7
Chlorine binding site 1 out
of 9 in the The Structure of A Domain of A Functionally Unknown Protein From Bacillus Subtilis Subsp. Subtilis Str. 168
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of The Structure of A Domain of A Functionally Unknown Protein From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl201
b:22.3
occ:1.00
|
ND1
|
A:HIS89
|
2.8
|
10.1
|
1.0
|
O
|
A:ASP85
|
3.0
|
12.1
|
1.0
|
O
|
A:GLU86
|
3.2
|
29.1
|
1.0
|
C
|
A:GLU86
|
3.6
|
25.3
|
1.0
|
CG
|
A:HIS89
|
3.6
|
9.8
|
1.0
|
CB
|
A:HIS89
|
3.6
|
9.9
|
1.0
|
O
|
A:HOH346
|
3.6
|
20.6
|
1.0
|
CE1
|
A:HIS89
|
3.8
|
12.2
|
1.0
|
CG2
|
A:ILE83
|
3.9
|
10.9
|
1.0
|
N
|
A:ASN88
|
4.0
|
12.4
|
1.0
|
CA
|
A:GLU86
|
4.0
|
23.2
|
1.0
|
C
|
A:ASN88
|
4.0
|
14.9
|
1.0
|
O
|
A:ASN88
|
4.0
|
17.1
|
1.0
|
C
|
A:ASP85
|
4.0
|
17.1
|
1.0
|
CG2
|
A:VAL104
|
4.1
|
15.0
|
1.0
|
N
|
A:HIS89
|
4.2
|
14.9
|
1.0
|
N
|
A:LYS87
|
4.3
|
24.6
|
1.0
|
CA
|
A:HIS89
|
4.5
|
10.2
|
1.0
|
N
|
A:GLU86
|
4.5
|
20.9
|
1.0
|
C
|
A:LYS87
|
4.5
|
18.9
|
1.0
|
CA
|
A:ASN88
|
4.6
|
13.3
|
1.0
|
CG1
|
A:VAL104
|
4.7
|
29.8
|
1.0
|
CA
|
A:LYS87
|
4.7
|
22.2
|
1.0
|
CD2
|
A:HIS89
|
4.8
|
9.7
|
1.0
|
NE2
|
A:HIS89
|
4.8
|
9.8
|
1.0
|
O
|
A:HOH344
|
4.9
|
12.6
|
1.0
|
|
Chlorine binding site 2 out
of 9 in 4zr7
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Chlorine Binding Sites List in 4zr7
Chlorine binding site 2 out
of 9 in the The Structure of A Domain of A Functionally Unknown Protein From Bacillus Subtilis Subsp. Subtilis Str. 168
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of The Structure of A Domain of A Functionally Unknown Protein From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl202
b:29.5
occ:1.00
|
NH1
|
B:ARG67
|
2.8
|
17.1
|
1.0
|
OD1
|
A:ASP133
|
2.9
|
19.3
|
1.0
|
CG
|
A:ASP133
|
3.7
|
20.3
|
1.0
|
O
|
B:HOH320
|
3.8
|
15.9
|
1.0
|
CB
|
B:GLN63
|
3.8
|
14.7
|
1.0
|
CZ
|
B:ARG67
|
3.8
|
16.8
|
1.0
|
CZ2
|
B:TRP90
|
3.9
|
14.2
|
1.0
|
N
|
B:ALA64
|
3.9
|
14.6
|
1.0
|
NH2
|
B:ARG67
|
4.0
|
16.0
|
1.0
|
OD2
|
A:ASP133
|
4.1
|
20.5
|
1.0
|
C
|
B:GLN63
|
4.4
|
13.9
|
1.0
|
CH2
|
B:TRP90
|
4.4
|
15.8
|
1.0
|
CB
|
B:ALA64
|
4.4
|
16.5
|
1.0
|
CA
|
B:ALA64
|
4.4
|
14.6
|
1.0
|
CA
|
B:GLN63
|
4.6
|
14.3
|
1.0
|
CE2
|
B:TRP90
|
4.7
|
12.7
|
1.0
|
CB
|
A:ASP133
|
4.7
|
21.4
|
1.0
|
CA
|
A:ASP133
|
4.9
|
22.0
|
1.0
|
CG
|
B:GLN63
|
5.0
|
20.6
|
1.0
|
|
Chlorine binding site 3 out
of 9 in 4zr7
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Chlorine Binding Sites List in 4zr7
Chlorine binding site 3 out
of 9 in the The Structure of A Domain of A Functionally Unknown Protein From Bacillus Subtilis Subsp. Subtilis Str. 168
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of The Structure of A Domain of A Functionally Unknown Protein From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl203
b:42.9
occ:1.00
|
O
|
A:HOH339
|
2.7
|
12.9
|
1.0
|
CB
|
A:PRO93
|
3.4
|
21.3
|
1.0
|
CD1
|
D:TRP71
|
3.4
|
14.5
|
1.0
|
CA
|
A:PRO93
|
3.6
|
16.7
|
1.0
|
NE1
|
D:TRP71
|
3.6
|
13.6
|
1.0
|
O
|
D:HOH308
|
4.0
|
6.2
|
1.0
|
O
|
D:HOH318
|
4.0
|
22.7
|
1.0
|
CB
|
D:SER68
|
4.0
|
9.8
|
1.0
|
O
|
D:HOH307
|
4.1
|
17.6
|
1.0
|
CA
|
D:SER68
|
4.2
|
9.8
|
1.0
|
N
|
A:PRO93
|
4.5
|
13.9
|
1.0
|
N
|
A:ASN94
|
4.6
|
18.1
|
1.0
|
CG
|
A:PRO93
|
4.7
|
21.2
|
1.0
|
C
|
A:PRO93
|
4.7
|
18.9
|
1.0
|
CG
|
D:TRP71
|
4.7
|
15.9
|
1.0
|
O
|
A:TYR91
|
4.8
|
11.6
|
1.0
|
N
|
D:SER68
|
4.9
|
9.3
|
1.0
|
|
Chlorine binding site 4 out
of 9 in 4zr7
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Chlorine Binding Sites List in 4zr7
Chlorine binding site 4 out
of 9 in the The Structure of A Domain of A Functionally Unknown Protein From Bacillus Subtilis Subsp. Subtilis Str. 168
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of The Structure of A Domain of A Functionally Unknown Protein From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl201
b:22.0
occ:1.00
|
OE1
|
B:GLN63
|
3.1
|
19.3
|
1.0
|
CD
|
B:ARG67
|
3.2
|
15.6
|
1.0
|
O
|
B:HOH301
|
3.2
|
24.2
|
1.0
|
CG
|
B:ARG67
|
3.3
|
12.2
|
1.0
|
CZ3
|
B:TRP90
|
3.7
|
16.1
|
1.0
|
NH1
|
B:ARG67
|
3.7
|
17.1
|
1.0
|
CB
|
B:GLN63
|
3.8
|
14.7
|
1.0
|
CG2
|
B:ILE82
|
3.9
|
20.1
|
1.0
|
O
|
B:GLN63
|
4.0
|
14.7
|
1.0
|
CD2
|
B:LEU57
|
4.0
|
15.4
|
1.0
|
CD
|
B:GLN63
|
4.0
|
20.0
|
1.0
|
CE3
|
B:TRP90
|
4.0
|
14.9
|
1.0
|
CH2
|
B:TRP90
|
4.1
|
15.8
|
1.0
|
OH
|
B:TYR145
|
4.2
|
20.5
|
1.0
|
NE
|
B:ARG67
|
4.3
|
17.6
|
1.0
|
CG
|
B:GLN63
|
4.3
|
20.6
|
1.0
|
C
|
B:GLN63
|
4.4
|
13.9
|
1.0
|
CZ
|
B:ARG67
|
4.4
|
16.8
|
1.0
|
CA
|
B:GLN63
|
4.5
|
14.3
|
1.0
|
NE2
|
B:GLN84
|
4.6
|
19.0
|
1.0
|
CD2
|
B:TRP90
|
4.7
|
13.3
|
1.0
|
CZ2
|
B:TRP90
|
4.8
|
14.2
|
1.0
|
CB
|
B:ARG67
|
4.8
|
12.4
|
1.0
|
CD1
|
B:ILE82
|
4.9
|
17.6
|
1.0
|
CB
|
B:ILE82
|
5.0
|
18.6
|
1.0
|
|
Chlorine binding site 5 out
of 9 in 4zr7
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Chlorine Binding Sites List in 4zr7
Chlorine binding site 5 out
of 9 in the The Structure of A Domain of A Functionally Unknown Protein From Bacillus Subtilis Subsp. Subtilis Str. 168
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of The Structure of A Domain of A Functionally Unknown Protein From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl202
b:27.2
occ:1.00
|
OD2
|
C:ASP62
|
2.9
|
17.7
|
1.0
|
O
|
B:HOH347
|
3.1
|
18.2
|
1.0
|
N
|
B:GLU105
|
3.1
|
13.8
|
1.0
|
CB
|
B:GLU105
|
3.5
|
22.4
|
1.0
|
CB
|
C:ASP62
|
3.5
|
18.3
|
1.0
|
CG
|
C:ASP62
|
3.5
|
18.6
|
1.0
|
CB
|
B:THR103
|
3.6
|
17.5
|
1.0
|
N
|
B:VAL104
|
3.7
|
11.9
|
1.0
|
OG1
|
B:THR103
|
3.7
|
19.3
|
1.0
|
OH
|
B:TYR91
|
3.8
|
14.8
|
1.0
|
CA
|
B:GLU105
|
3.9
|
15.1
|
1.0
|
C
|
B:VAL104
|
4.1
|
13.4
|
1.0
|
CA
|
B:VAL104
|
4.1
|
13.6
|
1.0
|
CB
|
B:VAL104
|
4.1
|
17.6
|
1.0
|
C
|
B:THR103
|
4.2
|
13.6
|
1.0
|
CD2
|
C:LEU65
|
4.3
|
14.4
|
1.0
|
CA
|
B:THR103
|
4.4
|
14.6
|
1.0
|
OE1
|
B:GLU105
|
4.5
|
31.2
|
1.0
|
CG2
|
B:THR103
|
4.6
|
19.5
|
1.0
|
OD1
|
C:ASP62
|
4.7
|
19.3
|
1.0
|
CG
|
B:GLU105
|
4.8
|
25.9
|
1.0
|
CB
|
C:LEU65
|
5.0
|
18.3
|
1.0
|
O
|
B:HOH325
|
5.0
|
23.8
|
1.0
|
CA
|
C:ASP62
|
5.0
|
16.1
|
1.0
|
|
Chlorine binding site 6 out
of 9 in 4zr7
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Chlorine Binding Sites List in 4zr7
Chlorine binding site 6 out
of 9 in the The Structure of A Domain of A Functionally Unknown Protein From Bacillus Subtilis Subsp. Subtilis Str. 168
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of The Structure of A Domain of A Functionally Unknown Protein From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl203
b:31.4
occ:1.00
|
O
|
B:ALA64
|
2.8
|
13.9
|
1.0
|
O
|
B:HOH305
|
3.2
|
13.5
|
1.0
|
OD1
|
A:ASP131
|
3.5
|
25.1
|
1.0
|
NH2
|
B:ARG67
|
3.5
|
16.0
|
1.0
|
C
|
B:ALA64
|
3.6
|
15.1
|
1.0
|
CA
|
B:ALA64
|
3.8
|
14.6
|
1.0
|
N
|
B:SER68
|
3.8
|
16.5
|
1.0
|
CB
|
B:ALA64
|
4.0
|
16.5
|
1.0
|
CB
|
B:SER68
|
4.0
|
19.7
|
1.0
|
NE
|
B:ARG67
|
4.0
|
17.6
|
1.0
|
CZ
|
B:ARG67
|
4.0
|
16.8
|
1.0
|
CB
|
B:ARG67
|
4.1
|
12.4
|
1.0
|
CA
|
B:SER68
|
4.3
|
18.0
|
1.0
|
CG
|
A:ASP131
|
4.4
|
22.3
|
1.0
|
C
|
B:ARG67
|
4.4
|
16.5
|
1.0
|
CA
|
A:ASP131
|
4.4
|
21.6
|
1.0
|
O
|
A:HOH343
|
4.5
|
23.8
|
1.0
|
NE1
|
B:TRP71
|
4.6
|
18.4
|
1.0
|
O
|
A:HOH350
|
4.7
|
22.8
|
1.0
|
CA
|
B:ARG67
|
4.7
|
12.2
|
1.0
|
CB
|
A:ASP131
|
4.7
|
21.8
|
1.0
|
N
|
B:LEU65
|
4.8
|
15.7
|
1.0
|
OG
|
B:SER68
|
4.9
|
14.8
|
1.0
|
C
|
A:ASP131
|
4.9
|
20.0
|
1.0
|
O
|
A:HOH340
|
5.0
|
20.9
|
1.0
|
|
Chlorine binding site 7 out
of 9 in 4zr7
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Chlorine Binding Sites List in 4zr7
Chlorine binding site 7 out
of 9 in the The Structure of A Domain of A Functionally Unknown Protein From Bacillus Subtilis Subsp. Subtilis Str. 168
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of The Structure of A Domain of A Functionally Unknown Protein From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl201
b:25.2
occ:1.00
|
O
|
C:HOH313
|
2.5
|
10.6
|
1.0
|
NE
|
C:ARG67
|
3.0
|
17.8
|
1.0
|
CD
|
C:ARG67
|
3.6
|
14.6
|
1.0
|
O
|
B:HOH337
|
3.7
|
19.0
|
1.0
|
CB
|
C:ARG67
|
3.8
|
11.9
|
1.0
|
CD1
|
C:TRP90
|
3.9
|
16.3
|
1.0
|
CZ
|
C:ARG67
|
4.0
|
15.4
|
1.0
|
NH2
|
C:ARG67
|
4.1
|
15.7
|
1.0
|
CG
|
C:ARG67
|
4.2
|
12.2
|
1.0
|
NE1
|
C:TRP71
|
4.3
|
13.4
|
1.0
|
O
|
C:HOH330
|
4.3
|
34.0
|
1.0
|
CG
|
C:TRP90
|
4.5
|
15.6
|
1.0
|
NE1
|
C:TRP90
|
4.5
|
19.5
|
1.0
|
O
|
C:ALA64
|
4.6
|
18.2
|
1.0
|
CZ2
|
C:TRP71
|
4.6
|
12.7
|
1.0
|
CB
|
C:TRP90
|
4.8
|
14.8
|
1.0
|
CE2
|
C:TRP71
|
4.8
|
12.6
|
1.0
|
CA
|
C:ALA64
|
4.9
|
15.3
|
1.0
|
|
Chlorine binding site 8 out
of 9 in 4zr7
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Chlorine Binding Sites List in 4zr7
Chlorine binding site 8 out
of 9 in the The Structure of A Domain of A Functionally Unknown Protein From Bacillus Subtilis Subsp. Subtilis Str. 168
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of The Structure of A Domain of A Functionally Unknown Protein From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl202
b:28.9
occ:1.00
|
O
|
D:HOH315
|
2.2
|
13.9
|
1.0
|
O
|
A:HOH332
|
2.4
|
8.9
|
1.0
|
O
|
D:HOH305
|
3.1
|
14.3
|
1.0
|
N
|
D:ALA64
|
3.5
|
11.6
|
1.0
|
CE1
|
A:HIS89
|
3.5
|
12.2
|
1.0
|
N
|
D:GLN63
|
3.6
|
15.4
|
1.0
|
NE2
|
A:HIS89
|
3.8
|
9.8
|
1.0
|
CB
|
D:GLN63
|
3.8
|
14.2
|
1.0
|
CA
|
D:GLN63
|
4.0
|
13.5
|
1.0
|
ND1
|
A:HIS89
|
4.2
|
10.1
|
1.0
|
C
|
D:GLN63
|
4.2
|
10.8
|
1.0
|
OD1
|
D:ASP62
|
4.2
|
11.5
|
1.0
|
CB
|
D:ALA64
|
4.2
|
10.1
|
1.0
|
O
|
D:HOH329
|
4.2
|
13.8
|
1.0
|
CA
|
D:ALA64
|
4.4
|
9.6
|
1.0
|
CD2
|
A:HIS89
|
4.6
|
9.7
|
1.0
|
C
|
D:ASP62
|
4.6
|
17.5
|
1.0
|
O
|
A:LYS87
|
4.6
|
20.8
|
1.0
|
CG
|
A:HIS89
|
4.8
|
9.8
|
1.0
|
O
|
A:HIS89
|
4.8
|
13.0
|
1.0
|
CA
|
D:ASP62
|
4.9
|
18.0
|
1.0
|
CG
|
D:GLN63
|
4.9
|
15.1
|
1.0
|
NH2
|
D:ARG67
|
4.9
|
14.2
|
1.0
|
|
Chlorine binding site 9 out
of 9 in 4zr7
Go back to
Chlorine Binding Sites List in 4zr7
Chlorine binding site 9 out
of 9 in the The Structure of A Domain of A Functionally Unknown Protein From Bacillus Subtilis Subsp. Subtilis Str. 168
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of The Structure of A Domain of A Functionally Unknown Protein From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl203
b:41.1
occ:1.00
|
O
|
D:HOH313
|
2.5
|
30.0
|
1.0
|
CE
|
D:LYS125
|
3.6
|
25.9
|
1.0
|
O
|
D:HOH324
|
3.7
|
18.2
|
1.0
|
OG
|
D:SER130
|
3.7
|
31.5
|
1.0
|
NZ
|
D:LYS125
|
4.0
|
24.6
|
1.0
|
O
|
D:ARG126
|
4.1
|
21.8
|
1.0
|
CB
|
D:SER130
|
4.2
|
28.0
|
1.0
|
CA
|
D:THR127
|
4.4
|
24.0
|
1.0
|
N
|
D:GLY128
|
4.5
|
24.9
|
1.0
|
OG1
|
D:THR127
|
4.6
|
25.0
|
1.0
|
O
|
D:HOH312
|
4.7
|
22.4
|
1.0
|
C
|
D:THR127
|
4.9
|
24.0
|
1.0
|
N
|
D:SER130
|
4.9
|
21.3
|
1.0
|
CD
|
D:LYS125
|
5.0
|
29.1
|
1.0
|
|
Reference:
K.Tan,
H.Li,
R.Jedrzejczak,
A.Joachimiak.
The Structure of A Domain of A Functionally Unknown Protein From Bacillus Subtilis Subsp. Subtilis Str. 168 To Be Published.
Page generated: Fri Jul 26 04:47:22 2024
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