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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 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 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 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 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 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 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 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 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

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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: Sat Dec 12 11:28:48 2020

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