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Chlorine in PDB 3m3h: 1.75 Angstrom Resolution Crystal Structure of An Orotate Phosphoribosyltransferase From Bacillus Anthracis Str. 'Ames Ancestor'

Enzymatic activity of 1.75 Angstrom Resolution Crystal Structure of An Orotate Phosphoribosyltransferase From Bacillus Anthracis Str. 'Ames Ancestor'

All present enzymatic activity of 1.75 Angstrom Resolution Crystal Structure of An Orotate Phosphoribosyltransferase From Bacillus Anthracis Str. 'Ames Ancestor':
2.4.2.10;

Protein crystallography data

The structure of 1.75 Angstrom Resolution Crystal Structure of An Orotate Phosphoribosyltransferase From Bacillus Anthracis Str. 'Ames Ancestor', PDB code: 3m3h was solved by A.S.Halavaty, L.Shuvalova, G.Minasov, J.Winsor, I.Dubrovska, K.Kwon, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.43 / 1.75
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 56.762, 56.762, 113.708, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 22.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.75 Angstrom Resolution Crystal Structure of An Orotate Phosphoribosyltransferase From Bacillus Anthracis Str. 'Ames Ancestor' (pdb code 3m3h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the 1.75 Angstrom Resolution Crystal Structure of An Orotate Phosphoribosyltransferase From Bacillus Anthracis Str. 'Ames Ancestor', PDB code: 3m3h:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 3m3h

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Chlorine binding site 1 out of 7 in the 1.75 Angstrom Resolution Crystal Structure of An Orotate Phosphoribosyltransferase From Bacillus Anthracis Str. 'Ames Ancestor'


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.75 Angstrom Resolution Crystal Structure of An Orotate Phosphoribosyltransferase From Bacillus Anthracis Str. 'Ames Ancestor' within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl211

b:28.8
occ:1.00
 O A:HOH218 3.0 23.6 1.0
N A:LYS45 3.2 22.0 1.0
C A:TYR43 3.4 21.7 1.0
CB A:TYR43 3.5 20.5 1.0
CA A:TYR43 3.5 21.0 1.0
N A:VAL46 3.5 20.1 1.0
N A:PRO44 3.6 21.3 1.0
CB A:LYS45 3.7 24.1 1.0
CD1 A:TYR43 3.8 23.0 1.0
CD A:PRO44 3.8 21.9 1.0
CA A:LYS45 3.9 22.7 1.0
O A:TYR43 3.9 20.9 1.0
CG2 A:VAL46 3.9 21.2 1.0
CG A:TYR43 4.2 21.3 1.0
C A:PRO44 4.2 23.3 1.0
C A:LYS45 4.2 22.0 1.0
CB A:VAL46 4.4 20.7 1.0
CA A:PRO44 4.4 22.4 1.0
CA A:VAL46 4.6 20.7 1.0
O A:HOH290 4.9 18.6 1.0
N A:TYR43 5.0 20.9 1.0

Chlorine binding site 2 out of 7 in 3m3h

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Chlorine binding site 2 out of 7 in the 1.75 Angstrom Resolution Crystal Structure of An Orotate Phosphoribosyltransferase From Bacillus Anthracis Str. 'Ames Ancestor'


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.75 Angstrom Resolution Crystal Structure of An Orotate Phosphoribosyltransferase From Bacillus Anthracis Str. 'Ames Ancestor' within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl212

b:34.2
occ:1.00
 OG A:SER128 3.1 29.1 0.5
N A:GLY126 3.1 25.4 1.0
N A:SER124 3.3 21.8 0.5
N A:SER124 3.3 22.2 0.5
CA A:GLY126 3.4 25.6 1.0
C A:GLY126 3.6 25.5 1.0
N A:ALA129 3.7 25.5 1.0
OG A:SER124 3.8 23.4 0.5
CB A:SER128 3.9 27.1 0.5
CA A:ILE123 3.9 21.2 1.0
N A:SER128 3.9 26.3 0.5
N A:SER128 3.9 26.3 0.5
N A:THR125 4.0 23.6 1.0
CB A:ALA129 4.0 24.8 1.0
N A:GLY127 4.0 25.8 1.0
C A:ILE123 4.1 21.7 1.0
O A:GLY126 4.1 24.9 1.0
CA A:SER124 4.1 21.9 0.5
CA A:SER124 4.2 22.7 0.5
C A:SER124 4.2 23.1 0.5
C A:SER124 4.2 23.5 0.5
O A:LEU122 4.2 20.1 1.0
CB A:SER128 4.2 27.2 0.5
CG2 A:ILE123 4.3 22.5 1.0
C A:THR125 4.3 25.2 1.0
CA A:SER128 4.3 26.7 0.5
CA A:SER128 4.4 26.8 0.5
CB A:SER124 4.4 22.3 0.5
CA A:ALA129 4.4 24.5 1.0
C A:SER128 4.5 25.9 0.5
C A:SER128 4.5 25.9 0.5
CB A:SER124 4.6 23.2 0.5
CD1 A:ILE123 4.7 29.3 1.0
CB A:ILE123 4.7 22.0 1.0
OG A:SER128 4.7 28.5 0.5
CA A:THR125 4.7 25.4 1.0
C A:GLY127 4.7 26.3 1.0
OG1 A:THR125 4.8 29.4 1.0
O A:SER124 4.8 23.0 0.5
O A:SER124 4.9 23.4 0.5
N A:ILE123 4.9 20.7 1.0
CA A:GLY127 4.9 26.2 1.0
C A:LEU122 5.0 20.8 1.0

Chlorine binding site 3 out of 7 in 3m3h

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Chlorine binding site 3 out of 7 in the 1.75 Angstrom Resolution Crystal Structure of An Orotate Phosphoribosyltransferase From Bacillus Anthracis Str. 'Ames Ancestor'


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.75 Angstrom Resolution Crystal Structure of An Orotate Phosphoribosyltransferase From Bacillus Anthracis Str. 'Ames Ancestor' within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl213

b:37.5
occ:1.00
 O A:HOH306 2.8 38.4 1.0
N A:VAL143 3.1 19.9 1.0
NE A:ARG137 3.1 19.7 1.0
O A:VAL143 3.7 19.3 1.0
CG A:ARG137 3.8 18.5 1.0
CD A:ARG137 3.9 19.1 1.0
CA A:GLU142 3.9 21.4 1.0
CA A:VAL143 3.9 18.3 1.0
CZ A:ARG137 4.0 20.2 1.0
NH2 A:ARG137 4.0 21.8 1.0
C A:GLU142 4.0 20.8 1.0
CB A:VAL143 4.0 19.1 1.0
O A:HOH257 4.1 33.5 1.0
O A:CYS141 4.2 21.7 1.0
C A:VAL143 4.2 18.9 1.0
CG A:GLU142 4.4 24.3 1.0
CG2 A:VAL143 4.5 18.9 1.0
CB A:GLU142 4.8 22.7 1.0
O A:HOH291 4.8 27.5 1.0
N A:GLU142 4.9 21.2 1.0
C A:CYS141 4.9 21.4 1.0
O A:HOH240 5.0 27.4 1.0
CB A:ARG137 5.0 17.3 1.0

Chlorine binding site 4 out of 7 in 3m3h

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Chlorine binding site 4 out of 7 in the 1.75 Angstrom Resolution Crystal Structure of An Orotate Phosphoribosyltransferase From Bacillus Anthracis Str. 'Ames Ancestor'


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.75 Angstrom Resolution Crystal Structure of An Orotate Phosphoribosyltransferase From Bacillus Anthracis Str. 'Ames Ancestor' within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl214

b:38.1
occ:1.00
 O A:HOH327 2.8 45.8 1.0
OG1 A:THR64 3.0 22.8 1.0
CD A:PRO63 3.4 23.9 1.0
N A:THR64 3.4 23.0 1.0
N A:PRO63 3.4 23.2 1.0
C A:PHE62 3.5 21.9 1.0
CA A:PHE62 3.6 20.3 1.0
CB A:THR64 3.8 23.7 1.0
CG2 A:THR64 3.8 26.5 1.0
CG A:PRO63 4.0 24.8 1.0
CD1 A:LEU144 4.0 19.3 1.0
CA A:THR64 4.1 23.3 1.0
O A:PHE62 4.2 21.4 1.0
O A:HIS61 4.3 19.5 1.0
C A:PRO63 4.3 23.7 1.0
CA A:PRO63 4.3 23.4 1.0
CD2 A:LEU144 4.5 21.5 1.0
CB A:PHE62 4.5 19.8 1.0
N A:PHE62 4.6 19.9 1.0
CG A:LEU144 4.8 17.8 1.0
CB A:PRO63 4.8 24.1 1.0
C A:HIS61 4.8 19.1 1.0
C A:THR64 4.9 22.8 1.0
N A:VAL65 5.0 22.3 1.0

Chlorine binding site 5 out of 7 in 3m3h

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Chlorine binding site 5 out of 7 in the 1.75 Angstrom Resolution Crystal Structure of An Orotate Phosphoribosyltransferase From Bacillus Anthracis Str. 'Ames Ancestor'


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 1.75 Angstrom Resolution Crystal Structure of An Orotate Phosphoribosyltransferase From Bacillus Anthracis Str. 'Ames Ancestor' within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl215

b:44.3
occ:1.00
 N A:ASN37 3.1 22.3 1.0
OD2 A:ASP121 3.2 30.9 0.5
CG A:ASP121 3.5 25.6 0.5
O A:CYS35 3.6 23.1 1.0
CB A:ASN37 3.6 22.6 1.0
OD1 A:ASN37 3.6 28.5 1.0
CB A:ASP121 3.8 23.3 0.5
SG A:CYS35 3.8 27.9 1.0
CB A:LEU122 3.8 19.4 1.0
CB A:ASP121 3.9 23.0 0.5
CA A:ASP36 3.9 23.6 1.0
CG A:ASN37 3.9 24.4 1.0
CA A:ASN37 3.9 22.1 1.0
C A:ASP36 4.0 21.9 1.0
C A:CYS35 4.0 22.9 1.0
O A:ASP121 4.1 21.2 0.5
N A:ASP36 4.2 22.8 1.0
O A:HOH242 4.2 36.7 1.0
C A:ASP121 4.3 21.6 0.5
OD1 A:ASP121 4.3 29.5 0.5
CD2 A:LEU122 4.4 20.7 1.0
C A:ASP121 4.5 21.7 0.5
N A:LEU122 4.6 21.1 1.0
CG A:LEU122 4.7 18.2 1.0
CB A:CYS35 4.7 23.6 1.0
OD2 A:ASP121 4.7 28.4 0.5
OD1 A:ASP36 4.7 26.7 1.0
CA A:ASP121 4.7 22.3 0.5
CA A:ASP121 4.8 22.5 0.5
CG A:ASP121 4.8 24.8 0.5
CA A:LEU122 4.8 19.4 1.0
C A:ASN37 4.8 21.9 1.0
ND2 A:ASN37 4.9 23.9 1.0
O A:ASP121 4.9 21.8 0.5
N A:ARG38 4.9 21.4 1.0
CA A:CYS35 5.0 23.8 1.0

Chlorine binding site 6 out of 7 in 3m3h

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Chlorine binding site 6 out of 7 in the 1.75 Angstrom Resolution Crystal Structure of An Orotate Phosphoribosyltransferase From Bacillus Anthracis Str. 'Ames Ancestor'


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of 1.75 Angstrom Resolution Crystal Structure of An Orotate Phosphoribosyltransferase From Bacillus Anthracis Str. 'Ames Ancestor' within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl216

b:39.7
occ:0.80
 OH A:TYR92 2.8 30.5 1.0
NH2 A:ARG94 3.1 48.3 1.0
NE A:ARG94 3.4 45.0 1.0
CZ A:ARG94 3.7 47.7 1.0
CZ A:TYR92 3.7 26.7 1.0
CE1 A:TYR92 3.7 25.9 1.0
CG A:GLU107 3.8 27.6 1.0
CD A:GLU107 4.2 31.9 1.0
OE2 A:GLU107 4.3 35.5 1.0
CD A:ARG94 4.6 42.5 1.0
CG A:ARG94 4.7 38.9 1.0
CB A:GLU107 4.8 24.6 1.0
NH1 A:ARG94 4.9 48.7 1.0

Chlorine binding site 7 out of 7 in 3m3h

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Chlorine binding site 7 out of 7 in the 1.75 Angstrom Resolution Crystal Structure of An Orotate Phosphoribosyltransferase From Bacillus Anthracis Str. 'Ames Ancestor'


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of 1.75 Angstrom Resolution Crystal Structure of An Orotate Phosphoribosyltransferase From Bacillus Anthracis Str. 'Ames Ancestor' within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl217

b:59.6
occ:1.00
 CG A:PRO44 3.6 23.4 1.0
CD A:PRO44 3.7 21.9 1.0
CB A:PRO44 4.6 23.3 1.0

Reference:

A.S.Halavaty, L.Shuvalova, G.Minasov, J.Winsor, I.Dubrovska, K.Kwon, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.75 Angstrom Resolution Crystal Structure of An Orotate Phosphoribosyltransferase From Bacillus Anthracis Str. 'Ames Ancestor' To Be Published.
Page generated: Sat Jul 20 23:58:27 2024

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