Chlorine in PDB 4pux: Crystal Structure of A Hypothetical Protein (ABAYE2633) From Acinetobacter Baumannii Aye at 1.43 A Resolution

The structure of Crystal Structure of A Hypothetical Protein (ABAYE2633) From Acinetobacter Baumannii Aye at 1.43 A Resolution, PDB code: 4pux 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)	24.98 / 1.43
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	61.338, 99.178, 48.677, 90.00, 90.00, 90.00
R / Rfree (%)	11.8 / 15.3

The binding sites of Chlorine atom in the Crystal Structure of A Hypothetical Protein (ABAYE2633) From Acinetobacter Baumannii Aye at 1.43 A Resolution (pdb code 4pux). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of A Hypothetical Protein (ABAYE2633) From Acinetobacter Baumannii Aye at 1.43 A Resolution, PDB code: 4pux:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of A Hypothetical Protein (ABAYE2633) From Acinetobacter Baumannii Aye at 1.43 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 (ABAYE2633) From Acinetobacter Baumannii Aye at 1.43 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:29.3 occ:1.00 N A:ALA119 3.3 13.7 1.0 O A:HOH415 3.4 35.6 1.0 CA A:SER118 3.7 12.6 1.0 CE1 A:HIS116 3.8 12.0 1.0 C A:SER118 3.9 13.2 1.0 CB A:TYR137 4.0 11.0 1.0 O A:HOH379 4.1 30.4 1.0 CD2 A:TYR137 4.1 10.6 1.0 CB A:ALA119 4.1 15.9 1.0 CB A:SER118 4.2 13.9 1.0 CA A:ALA119 4.3 12.2 1.0 CG A:TYR137 4.4 10.1 1.0 O A:GLY117 4.5 13.8 1.0 ND1 A:HIS116 4.6 11.6 1.0 O A:HOH334 4.7 19.7 1.0 NE2 A:HIS116 4.8 11.9 1.0 N A:SER118 4.8 12.8 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of A Hypothetical Protein (ABAYE2633) From Acinetobacter Baumannii Aye at 1.43 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 (ABAYE2633) From Acinetobacter Baumannii Aye at 1.43 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:46.8 occ:1.00 N A:LYS168 3.3 19.1 1.0 O A:HOH491 3.4 53.8 1.0 CA A:GLY167 3.5 22.2 1.0 CG A:LYS168 3.8 25.0 1.0 C A:GLY167 3.8 19.2 1.0 O A:HOH509 4.0 25.3 1.0 CB A:LYS168 4.1 18.7 1.0 CA A:LYS168 4.3 16.6 1.0 CD A:LYS168 4.3 31.9 1.0 CE A:LYS168 4.3 36.6 1.0 N A:GLY167 4.8 18.5 1.0 O A:GLY167 5.0 19.0 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of A Hypothetical Protein (ABAYE2633) From Acinetobacter Baumannii Aye at 1.43 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 (ABAYE2633) From Acinetobacter Baumannii Aye at 1.43 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:35.2 occ:1.00 O A:HOH505 2.7 42.1 1.0 NH2 A:ARG165 3.2 26.5 0.5 O A:HOH322 3.2 17.7 1.0 NE A:ARG165 3.3 28.4 0.5 NE2 A:GLN83 3.3 14.8 1.0 CZ A:ARG165 3.7 23.3 0.5 NE A:ARG165 4.0 33.4 0.5 CZ A:PHE138 4.2 14.7 1.0 CG A:ARG165 4.3 16.8 0.5 OD2 A:ASP81 4.4 11.3 1.0 CD A:ARG165 4.5 25.6 0.5 CD1 A:ILE93 4.5 19.7 1.0 CD A:GLN83 4.5 12.6 1.0 CD A:ARG115 4.5 14.0 1.0 CE2 A:PHE138 4.6 13.1 1.0 CD A:ARG165 4.6 23.0 0.5 CG2 A:VAL170 4.6 15.1 1.0 CD1 A:ILE59 4.8 16.2 1.0 CZ A:ARG165 4.8 35.7 0.5 OE1 A:GLN83 4.8 14.5 1.0 NH2 A:ARG165 4.9 39.0 0.5 O A:HOH450 4.9 37.4 1.0 O A:HOH361 5.0 25.5 1.0 NH1 A:ARG165 5.0 25.5 0.5

Chlorine binding site 4 out of 5 in the Crystal Structure of A Hypothetical Protein (ABAYE2633) From Acinetobacter Baumannii Aye at 1.43 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 (ABAYE2633) From Acinetobacter Baumannii Aye at 1.43 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl209 b:17.0 occ:1.00 O A:HOH433 3.2 38.9 1.0 N A:ARG165 3.2 12.7 1.0 NE A:ARG115 3.2 14.5 1.0 NH2 A:ARG115 3.3 20.0 1.0 O A:HOH438 3.4 35.5 1.0 CA A:MSE164 3.7 14.1 1.0 CZ A:ARG115 3.7 17.4 1.0 CB A:TYR136 3.7 15.5 1.0 O A:HOH461 3.8 47.5 1.0 CD2 A:PHE138 3.9 11.7 1.0 CB A:ARG165 4.0 15.0 0.5 C A:MSE164 4.0 11.1 1.0 CG A:MSE164 4.0 23.7 1.0 CD1 A:TYR136 4.0 21.3 1.0 CG A:TYR136 4.0 19.1 1.0 CB A:ARG165 4.1 16.4 0.5 CA A:ARG165 4.2 12.6 0.5 CA A:ARG165 4.2 12.8 0.5 CB A:MSE164 4.4 18.4 1.0 CD A:ARG115 4.4 14.0 1.0 CB A:PHE138 4.5 10.4 1.0 CG A:ARG165 4.6 16.8 0.5 O A:ARG165 4.6 15.3 1.0 O A:ALA163 4.6 10.9 1.0 CG A:PHE138 4.7 10.3 1.0 CE2 A:PHE138 4.7 13.1 1.0 N A:MSE164 4.8 12.1 1.0 C A:ARG165 4.9 13.7 1.0 CA A:TYR136 5.0 14.4 1.0 CE1 A:TYR136 5.0 28.6 1.0 CG A:ARG115 5.0 11.1 1.0 CD2 A:TYR136 5.0 21.4 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of A Hypothetical Protein (ABAYE2633) From Acinetobacter Baumannii Aye at 1.43 A Resolution


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 A Hypothetical Protein (ABAYE2633) From Acinetobacter Baumannii Aye at 1.43 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl210 b:23.7 occ:0.50 N A:GLY79 3.2 9.5 1.0 O A:HOH391 3.4 25.7 0.5 O A:HOH359 3.5 28.7 1.0 O A:HOH318 3.6 16.7 1.0 CA A:GLY79 3.8 10.4 1.0 O A:GLY79 4.0 9.7 1.0 C A:ASN78 4.1 9.9 1.0 CA A:ASN78 4.2 10.1 1.0 C A:GLY79 4.3 8.1 1.0 OD1 A:ASN78 4.4 17.3 1.0 O A:HOH475 4.9 51.4 1.0 CG A:ASN78 5.0 12.5 1.0

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.