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Chlorine in PDB 5a4o: Crystal Structure of BPSL1147, A PC4 Homolog From Burkholderia Pseudomallei K96243 (Orthorhombic Crystal Form)

Protein crystallography data

The structure of Crystal Structure of BPSL1147, A PC4 Homolog From Burkholderia Pseudomallei K96243 (Orthorhombic Crystal Form), PDB code: 5a4o was solved by S.Werten, N.Bayer, W.Hinrichs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.36 / 1.76
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 38.374, 50.149, 63.533, 90.00, 90.00, 90.00
R / Rfree (%) 19.1 / 24.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of BPSL1147, A PC4 Homolog From Burkholderia Pseudomallei K96243 (Orthorhombic Crystal Form) (pdb code 5a4o). 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 BPSL1147, A PC4 Homolog From Burkholderia Pseudomallei K96243 (Orthorhombic Crystal Form), PDB code: 5a4o:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 5a4o

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Chlorine binding site 1 out of 6 in the Crystal Structure of BPSL1147, A PC4 Homolog From Burkholderia Pseudomallei K96243 (Orthorhombic Crystal Form)


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 BPSL1147, A PC4 Homolog From Burkholderia Pseudomallei K96243 (Orthorhombic Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1076

b:22.3
occ:1.00
 NZ B:LYS15 3.2 23.5 1.0
NH1 A:ARG57 3.2 17.5 1.0
N A:ARG57 3.3 16.1 1.0
CG A:ARG57 3.5 17.1 1.0
CB A:ARG57 3.8 16.4 1.0
CA A:ILE56 3.8 18.8 1.0
CD A:ARG57 4.0 17.8 1.0
C A:ILE56 4.0 17.8 1.0
CG B:LYS15 4.0 20.6 1.0
CE B:LYS15 4.1 25.4 1.0
CD1 A:LEU60 4.1 16.5 1.0
CA A:ARG57 4.2 15.5 1.0
CZ A:ARG57 4.2 19.1 1.0
O A:SER55 4.3 20.7 1.0
O B:HOH2025 4.4 29.7 1.0
CB A:ILE56 4.5 18.4 1.0
CD B:LYS15 4.5 23.4 1.0
NE A:ARG57 4.5 18.0 1.0
CB B:LYS15 4.7 17.7 1.0
CG2 A:ILE56 4.8 18.0 1.0
N A:ILE56 4.9 18.2 1.0
CG A:LEU60 4.9 16.0 1.0
C A:SER55 5.0 19.6 1.0

Chlorine binding site 2 out of 6 in 5a4o

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Chlorine binding site 2 out of 6 in the Crystal Structure of BPSL1147, A PC4 Homolog From Burkholderia Pseudomallei K96243 (Orthorhombic Crystal Form)


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 BPSL1147, A PC4 Homolog From Burkholderia Pseudomallei K96243 (Orthorhombic Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1077

b:34.5
occ:1.00
 N A:ARG32 3.1 18.0 1.0
CB A:ARG32 3.7 18.5 1.0
CA A:ARG31 3.8 21.5 1.0
C A:ARG31 3.9 19.1 1.0
CG A:ARG32 3.9 19.2 1.0
CA A:ARG32 4.0 18.1 1.0
CB A:ARG31 4.3 25.2 1.0
O A:ARG32 4.3 15.2 1.0
CD A:ARG32 4.3 19.4 1.0
CG A:PRO58 4.4 18.7 1.0
CD A:PRO58 4.5 17.6 1.0
O A:GLY30 4.5 20.8 1.0
CG A:ARG31 4.6 31.3 1.0
C A:ARG32 4.7 17.8 1.0
N A:ARG31 4.9 21.3 1.0
OE1 A:GLU59 4.9 28.3 1.0

Chlorine binding site 3 out of 6 in 5a4o

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Chlorine binding site 3 out of 6 in the Crystal Structure of BPSL1147, A PC4 Homolog From Burkholderia Pseudomallei K96243 (Orthorhombic Crystal Form)


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 BPSL1147, A PC4 Homolog From Burkholderia Pseudomallei K96243 (Orthorhombic Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1076

b:34.9
occ:1.00
 O B:HOH2045 2.5 27.9 1.0
NH2 A:ARG51 3.4 24.2 1.0
NH1 A:ARG51 3.5 25.4 1.0
N B:ARG51 3.6 17.2 1.0
NE B:ARG51 3.7 29.2 1.0
NE2 B:GLN52 3.7 26.9 1.0
NH2 B:ARG51 3.8 39.6 1.0
CG B:GLN52 3.9 20.5 1.0
CB B:ARG51 3.9 20.1 1.0
CZ A:ARG51 3.9 22.8 1.0
CB B:THR50 4.0 15.2 1.0
CZ B:ARG51 4.2 37.9 1.0
CA B:ARG51 4.2 18.7 1.0
N B:GLN52 4.3 17.5 1.0
CD B:GLN52 4.3 22.0 1.0
OG1 B:THR50 4.5 14.9 1.0
CG B:ARG51 4.6 22.9 1.0
C B:ARG51 4.6 18.6 1.0
C B:THR50 4.6 16.8 1.0
CA B:THR50 4.7 16.2 1.0
CD B:ARG51 4.7 26.7 1.0
CG2 B:THR50 4.8 15.9 1.0
CB B:GLN52 5.0 18.5 1.0

Chlorine binding site 4 out of 6 in 5a4o

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Chlorine binding site 4 out of 6 in the Crystal Structure of BPSL1147, A PC4 Homolog From Burkholderia Pseudomallei K96243 (Orthorhombic Crystal Form)


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 BPSL1147, A PC4 Homolog From Burkholderia Pseudomallei K96243 (Orthorhombic Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1077

b:51.5
occ:1.00
 N B:ARG57 3.2 18.9 1.0
NH1 B:ARG57 3.3 29.1 1.0
NZ A:LYS15 3.5 28.4 1.0
CG B:ARG57 3.5 25.4 1.0
CB B:ARG57 3.6 22.6 1.0
CE A:LYS15 3.6 25.6 1.0
CD B:ARG57 3.8 28.1 1.0
CD1 B:LEU60 3.8 15.6 1.0
CA B:ARG57 4.0 18.9 1.0
O B:SER55 4.1 22.6 1.0
CZ B:ARG57 4.1 30.6 1.0
CD A:LYS15 4.2 22.6 1.0
C B:ILE56 4.2 20.2 1.0
CG A:LYS15 4.2 20.2 1.0
NE B:ARG57 4.3 30.8 1.0
CA B:ILE56 4.4 21.4 1.0
CB A:LYS15 4.6 18.6 1.0
CG B:LEU60 4.8 16.1 1.0
CE1 B:TYR33 4.9 33.1 1.0
C B:SER55 4.9 22.4 1.0

Chlorine binding site 5 out of 6 in 5a4o

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Chlorine binding site 5 out of 6 in the Crystal Structure of BPSL1147, A PC4 Homolog From Burkholderia Pseudomallei K96243 (Orthorhombic Crystal Form)


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 BPSL1147, A PC4 Homolog From Burkholderia Pseudomallei K96243 (Orthorhombic Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1078

b:27.5
occ:1.00
 NH2 B:ARG22 3.2 20.1 1.0
N B:PHE47 3.3 19.2 1.0
O B:PHE47 3.8 19.5 1.0
CB B:ASP46 3.8 24.5 1.0
CB B:PHE47 3.9 17.4 1.0
CZ B:ARG22 4.0 18.7 1.0
CA B:PHE47 4.0 18.6 1.0
NH1 B:ARG22 4.0 19.4 1.0
CA B:ASP46 4.1 21.9 1.0
C B:ASP46 4.1 20.1 1.0
CD1 B:PHE47 4.2 17.8 1.0
O B:HOH2016 4.3 21.4 1.0
C B:PHE47 4.4 18.7 1.0
O B:HOH2021 4.4 22.0 1.0
OD1 B:ASP46 4.5 25.8 1.0
CG B:ASP46 4.5 27.2 1.0
CG B:PHE47 4.6 17.6 1.0

Chlorine binding site 6 out of 6 in 5a4o

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Chlorine binding site 6 out of 6 in the Crystal Structure of BPSL1147, A PC4 Homolog From Burkholderia Pseudomallei K96243 (Orthorhombic Crystal Form)


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 BPSL1147, A PC4 Homolog From Burkholderia Pseudomallei K96243 (Orthorhombic Crystal Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1079

b:29.0
occ:1.00
 O B:HOH2049 3.0 16.3 1.0
O A:HOH2009 3.0 25.1 1.0
NE2 B:GLN63 3.2 15.7 1.0
CG B:GLN63 3.8 14.0 1.0
O A:ASP12 3.9 21.3 1.0
CD B:GLN63 4.0 14.5 1.0
CB B:GLN63 4.0 13.2 1.0
CG2 A:VAL13 4.0 14.9 1.0
O B:HOH2052 4.2 21.3 1.0
CA A:VAL13 4.3 13.6 1.0
C A:ASP12 4.3 18.4 1.0
N A:VAL13 4.5 15.0 1.0
N A:ASP12 4.5 16.3 1.0
CB A:ALA11 4.6 16.4 1.0
CB A:VAL13 4.6 13.9 1.0
CA B:GLN63 4.8 12.5 1.0
O B:GLN63 4.8 13.5 1.0
O B:HOH2034 5.0 19.9 1.0

Reference:

S.Werten, C.Kohler, N.Bayer, I.Steinmetz, W.Hinrichs. Structural Analysis and Knock-Out of A Burkholderia Pseudomallei Homolog of the Eukaryotic Transcription Coactivator PC4. Gene V. 557 140 2016.
ISSN: ISSN 0378-1119
PubMed: 26625975
DOI: 10.1016/J.GENE.2015.11.037
Page generated: Fri Jul 26 04:57:50 2024

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