Chlorine in PDB 7qow: Crystal Structure of Vibrio Alkaline Phosphatase in 1.0 M Nacl

The structure of Crystal Structure of Vibrio Alkaline Phosphatase in 1.0 M Nacl, PDB code: 7qow was solved by S.Markusson, J.G.Hjorleifsson, P.Kursula, B.Asgeirsson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.00 / 1.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	77.202, 85.993, 85.139, 90, 113.37, 90
R / Rfree (%)	13.1 / 16

The structure of Crystal Structure of Vibrio Alkaline Phosphatase in 1.0 M Nacl also contains other interesting chemical elements:

Zinc	(Zn)	4 atoms
Magnesium	(Mg)	4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Vibrio Alkaline Phosphatase in 1.0 M Nacl (pdb code 7qow). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Vibrio Alkaline Phosphatase in 1.0 M Nacl, PDB code: 7qow:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Vibrio Alkaline Phosphatase in 1.0 M Nacl


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 Vibrio Alkaline Phosphatase in 1.0 M Nacl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl614 b:20.9 occ:1.00 H A:TYR179 2.4 26.6 1.0 H A:TYR222 2.5 20.6 1.0 HA A:ALA221 2.9 19.4 1.0 HG13 A:VAL178 3.0 27.4 1.0 HA A:VAL178 3.1 25.2 1.0 O A:HOH1073 3.1 28.3 1.0 O A:HOH1222 3.2 37.3 1.0 N A:TYR179 3.3 22.2 1.0 N A:TYR222 3.3 17.2 1.0 HB3 A:TYR179 3.4 29.8 1.0 HB3 A:TYR222 3.4 22.5 1.0 HB2 A:ALA221 3.5 20.7 1.0 HB2 A:TYR179 3.6 29.8 1.0 CA A:ALA221 3.7 16.2 1.0 HB2 A:TYR222 3.8 22.5 1.0 CB A:TYR179 3.8 24.9 1.0 CA A:VAL178 3.9 21.0 1.0 CG1 A:VAL178 3.9 22.8 1.0 C A:ALA221 4.0 16.1 1.0 CB A:TYR222 4.0 18.8 1.0 CB A:ALA221 4.0 17.3 1.0 C A:VAL178 4.1 21.9 1.0 HG12 A:VAL178 4.2 27.4 1.0 CA A:TYR179 4.2 23.1 1.0 CA A:TYR222 4.3 17.4 1.0 HB3 A:ALA221 4.3 20.7 1.0 CB A:VAL178 4.4 21.6 1.0 O A:HOH747 4.5 37.3 1.0 O A:HOH915 4.5 19.0 1.0 O A:ASP177 4.6 24.5 1.0 HG11 A:VAL178 4.6 27.4 1.0 HE21 A:GLN242 4.7 25.4 1.0 HG21 A:VAL178 4.8 27.3 1.0 HA A:TYR222 4.8 20.9 1.0 H A:SER223 4.8 19.5 1.0 O A:PHE220 4.9 16.8 1.0 N A:ALA221 4.9 15.9 1.0 HA A:TYR179 4.9 27.6 1.0 HB1 A:ALA221 4.9 20.7 1.0 O A:TYR179 4.9 22.5 1.0 HG23 A:VAL178 5.0 27.3 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Vibrio Alkaline Phosphatase in 1.0 M Nacl


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 Vibrio Alkaline Phosphatase in 1.0 M Nacl within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1111 b:23.4 occ:1.00 HO2 B:EDO1107 2.1 23.0 1.0 HZ1 B:LYS422 2.3 30.7 1.0 HH B:TYR423 2.5 28.5 1.0 HG3 B:ARG129 3.0 20.7 1.0 O2 B:EDO1107 3.1 19.2 1.0 HB3 B:SER130 3.1 24.4 1.0 HD3 B:LYS422 3.1 29.6 1.0 OH B:TYR423 3.2 23.8 1.0 NZ B:LYS422 3.2 25.6 1.0 O A:HOH1058 3.2 28.8 1.0 HE1 B:HIS128 3.3 22.4 1.0 HD3 B:ARG129 3.5 20.9 1.0 HE2 B:TYR423 3.5 25.4 1.0 HZ3 B:LYS422 3.5 30.7 1.0 HA B:SER130 3.7 22.5 1.0 HZ2 B:LYS422 3.7 30.7 1.0 HE B:ARG129 3.8 20.2 1.0 CG B:ARG129 3.8 17.2 1.0 HD22 A:ASN349 3.8 28.9 1.0 CD B:LYS422 3.8 24.7 1.0 H22 B:EDO1107 3.9 21.8 1.0 CE B:LYS422 3.9 25.5 1.0 H12 B:EDO1105 3.9 29.7 1.0 C2 B:EDO1107 3.9 18.2 1.0 CD B:ARG129 3.9 17.5 1.0 CB B:SER130 3.9 20.3 1.0 HE2 B:LYS422 4.0 30.6 1.0 HD2 B:LYS422 4.0 29.6 1.0 NE B:ARG129 4.0 16.9 1.0 HG2 B:ARG129 4.1 20.7 1.0 HD21 A:ASN349 4.1 28.9 1.0 H21 B:EDO1107 4.1 21.8 1.0 CZ B:TYR423 4.1 22.2 1.0 CE1 B:HIS128 4.1 18.7 1.0 CE2 B:TYR423 4.1 21.2 1.0 HO1 B:EDO1105 4.2 29.5 1.0 CA B:SER130 4.2 18.8 1.0 HB2 B:SER130 4.2 24.4 1.0 ND2 A:ASN349 4.3 24.1 1.0 N B:SER130 4.3 17.6 1.0 H B:SER130 4.4 21.0 1.0 O A:HOH1093 4.4 27.3 1.0 C1 B:EDO1105 4.7 24.8 1.0 O1 B:EDO1105 4.8 24.6 1.0 HE3 B:LYS422 4.8 30.6 1.0 ND1 B:HIS128 4.8 19.0 1.0 C B:ARG129 4.9 16.6 1.0 HD2 B:ARG129 4.9 20.9 1.0 O B:HOH1280 4.9 24.6 1.0 H11 B:EDO1105 4.9 29.7 1.0 NE2 B:HIS128 5.0 19.2 1.0 O B:HOH1539 5.0 27.4 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Vibrio Alkaline Phosphatase in 1.0 M Nacl


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 Vibrio Alkaline Phosphatase in 1.0 M Nacl within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1112 b:21.4 occ:1.00 H B:TYR179 2.4 26.1 1.0 H B:TYR222 2.5 22.5 1.0 HA B:ALA221 2.9 21.7 1.0 HG11 B:VAL178 3.0 25.7 1.0 HA B:VAL178 3.1 26.1 1.0 O B:HOH1506 3.2 25.8 1.0 O B:HOH1687 3.2 38.4 1.0 N B:TYR179 3.3 21.8 1.0 O B:HOH1619 3.3 39.6 1.0 N B:TYR222 3.3 18.8 1.0 HB3 B:TYR179 3.3 27.9 1.0 HB3 B:ALA221 3.4 21.4 1.0 HB3 B:TYR222 3.5 24.3 1.0 HB2 B:TYR179 3.6 27.9 1.0 CA B:ALA221 3.6 18.1 1.0 HB2 B:TYR222 3.8 24.3 1.0 CB B:TYR179 3.8 23.3 1.0 CG1 B:VAL178 3.9 21.4 1.0 CB B:ALA221 3.9 17.9 1.0 CA B:VAL178 4.0 21.8 1.0 C B:ALA221 4.0 18.2 1.0 CB B:TYR222 4.0 20.3 1.0 C B:VAL178 4.1 22.3 1.0 CA B:TYR179 4.2 22.1 1.0 HB1 B:ALA221 4.2 21.4 1.0 HG12 B:VAL178 4.3 25.7 1.0 CA B:TYR222 4.3 18.5 1.0 O B:HOH1431 4.4 19.6 1.0 HG22 B:VAL178 4.5 26.4 1.0 CB B:VAL178 4.5 21.9 1.0 HG13 B:VAL178 4.5 25.7 1.0 O B:HOH1209 4.6 26.3 1.0 O B:ASP177 4.6 24.4 1.0 HE21 B:GLN242 4.7 26.6 1.0 H B:SER223 4.8 22.2 1.0 HA B:TYR222 4.8 22.1 1.0 HB2 B:ALA221 4.8 21.4 1.0 O B:PHE220 4.9 18.3 1.0 HA B:TYR179 4.9 26.4 1.0 N B:ALA221 4.9 17.9 1.0 O B:TYR179 4.9 22.9 1.0

S.Markusson, J.G.Hjorleifsson, P.Kursula, B.Asgeirsson. Structural Characterization of Functionally Important Chloride Binding Sites in the Marine Vibrio Alkaline Phosphatase. Biochemistry V. 61 2248 2022.
ISSN: ISSN 0006-2960
PubMed: 36194497
DOI: 10.1021/ACS.BIOCHEM.2C00438