Chlorine in PDB 6t26: X-Ray Crystal Structure of Vibrio Alkaline Phosphatase with the Non- Competitive Inhibitor Cyclohexylamine

The structure of X-Ray Crystal Structure of Vibrio Alkaline Phosphatase with the Non- Competitive Inhibitor Cyclohexylamine, PDB code: 6t26 was solved by B.Asgeirsson, J.G.Hjorleifsson, S.Markusson, R.Helland, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.72 / 2.27
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	76.916, 85.270, 84.785, 90.00, 113.55, 90.00
R / Rfree (%)	16 / 20.6

The structure of X-Ray Crystal Structure of Vibrio Alkaline Phosphatase with the Non- Competitive Inhibitor Cyclohexylamine also contains other interesting chemical elements:

Magnesium	(Mg)	6 atoms
Zinc	(Zn)	4 atoms

The binding sites of Chlorine atom in the X-Ray Crystal Structure of Vibrio Alkaline Phosphatase with the Non- Competitive Inhibitor Cyclohexylamine (pdb code 6t26). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the X-Ray Crystal Structure of Vibrio Alkaline Phosphatase with the Non- Competitive Inhibitor Cyclohexylamine, PDB code: 6t26:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the X-Ray Crystal Structure of Vibrio Alkaline Phosphatase with the Non- Competitive Inhibitor Cyclohexylamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of Vibrio Alkaline Phosphatase with the Non- Competitive Inhibitor Cyclohexylamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:50.0 occ:1.00 O A:HOH767 3.2 44.5 1.0 NZ A:LYS422 3.4 46.5 1.0 O A:HOH881 3.5 36.6 1.0 CB A:SER130 3.6 36.1 1.0 OH A:TYR423 3.7 50.7 1.0 CG A:ARG129 3.8 38.5 1.0 CD A:LYS422 3.8 51.7 1.0 CE1 A:HIS128 3.9 39.0 1.0 CA A:SER130 4.0 40.9 1.0 CD A:ARG129 4.1 38.2 1.0 N A:SER130 4.1 38.6 1.0 CE A:LYS422 4.2 50.9 1.0 NE A:ARG129 4.3 36.5 1.0 ND2 B:ASN349 4.3 40.9 1.0 CE2 A:TYR423 4.4 46.1 1.0 O B:HOH877 4.5 42.9 1.0 CZ A:TYR423 4.5 48.5 1.0 ND1 A:HIS128 4.5 40.1 1.0 C A:ARG129 4.7 37.3 1.0 NE2 A:HIS128 4.8 40.3 1.0 OG A:SER130 4.8 39.8 1.0 O A:HOH829 4.8 37.9 1.0 O A:HOH789 4.9 43.2 1.0 CB A:ARG129 5.0 36.2 1.0

Chlorine binding site 2 out of 6 in the X-Ray Crystal Structure of Vibrio Alkaline Phosphatase with the Non- Competitive Inhibitor Cyclohexylamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystal Structure of Vibrio Alkaline Phosphatase with the Non- Competitive Inhibitor Cyclohexylamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl605 b:39.4 occ:1.00 O A:HOH772 3.2 42.2 1.0 N A:TYR222 3.3 37.0 1.0 N A:TYR179 3.3 46.3 1.0 CA A:ALA221 3.7 36.7 1.0 CG1 A:VAL178 3.8 40.3 1.0 CB A:TYR179 3.9 49.0 1.0 CA A:VAL178 3.9 45.0 1.0 C A:ALA221 4.0 36.9 1.0 CB A:TYR222 4.0 39.7 1.0 CB A:ALA221 4.0 34.0 1.0 C A:VAL178 4.1 44.8 1.0 CA A:TYR179 4.2 45.4 1.0 CA A:TYR222 4.3 37.2 1.0 CB A:VAL178 4.4 41.7 1.0 O A:HOH781 4.4 36.4 1.0 O A:ASP177 4.6 47.6 1.0 O A:PHE220 4.8 36.0 1.0 CG2 A:VAL178 4.9 41.0 1.0 O A:TYR179 4.9 44.1 1.0 N A:ALA221 4.9 36.5 1.0

Chlorine binding site 3 out of 6 in the X-Ray Crystal Structure of Vibrio Alkaline Phosphatase with the Non- Competitive Inhibitor Cyclohexylamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Crystal Structure of Vibrio Alkaline Phosphatase with the Non- Competitive Inhibitor Cyclohexylamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl606 b:68.9 occ:1.00 NZ A:LYS486 3.4 43.5 1.0 CD A:LYS486 3.6 32.5 1.0 C6 A:HAI609 3.7 50.7 1.0 CE A:LYS486 3.9 38.0 1.0 OE1 B:GLN46 4.1 47.7 1.0 CG B:GLN46 4.4 42.5 1.0 O A:PRO483 4.4 43.3 1.0 C5 A:HAI609 4.5 43.6 1.0 CD B:GLN46 4.6 45.9 1.0 CB A:PRO483 4.6 42.9 1.0 N A:HAI609 4.7 53.2 1.0 C1 A:HAI609 4.8 45.8 1.0 CA A:PRO483 5.0 39.5 1.0 CG A:LYS486 5.0 32.7 1.0

Chlorine binding site 4 out of 6 in the X-Ray Crystal Structure of Vibrio Alkaline Phosphatase with the Non- Competitive Inhibitor Cyclohexylamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Crystal Structure of Vibrio Alkaline Phosphatase with the Non- Competitive Inhibitor Cyclohexylamine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl604 b:57.0 occ:1.00 N B:ALA402 3.1 43.8 1.0 O B:HOH825 3.3 43.8 1.0 CB B:THR401 3.7 39.7 1.0 CA B:THR401 3.7 42.6 1.0 CB B:ALA402 3.8 46.4 1.0 C B:THR401 3.9 43.9 1.0 CA B:ALA402 4.1 44.8 1.0 O B:HOH785 4.4 47.9 1.0 CG2 B:THR401 4.4 39.5 1.0 OG1 B:THR401 4.8 41.5 1.0 N B:GLU403 5.0 46.2 1.0

Chlorine binding site 5 out of 6 in the X-Ray Crystal Structure of Vibrio Alkaline Phosphatase with the Non- Competitive Inhibitor Cyclohexylamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Crystal Structure of Vibrio Alkaline Phosphatase with the Non- Competitive Inhibitor Cyclohexylamine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl605 b:37.5 occ:1.00 N B:TYR222 3.1 36.4 1.0 O B:HOH902 3.2 48.9 1.0 O B:HOH759 3.3 43.4 1.0 N B:TYR179 3.3 46.6 1.0 CA B:ALA221 3.6 32.8 1.0 CG1 B:VAL178 3.7 38.9 1.0 C B:ALA221 3.9 33.6 1.0 CA B:VAL178 3.9 41.3 1.0 CB B:TYR179 3.9 45.5 1.0 CB B:TYR222 3.9 37.5 1.0 CB B:ALA221 4.0 33.7 1.0 C B:VAL178 4.1 44.6 1.0 CA B:TYR222 4.1 35.2 1.0 CA B:TYR179 4.2 46.2 1.0 CB B:VAL178 4.4 38.1 1.0 O B:ASP177 4.5 44.2 1.0 O B:HOH744 4.6 29.0 1.0 O B:PHE220 4.7 31.8 1.0 N B:ALA221 4.8 32.5 1.0 CG2 B:VAL178 5.0 37.8 1.0 O B:TYR179 5.0 43.1 1.0

Chlorine binding site 6 out of 6 in the X-Ray Crystal Structure of Vibrio Alkaline Phosphatase with the Non- Competitive Inhibitor Cyclohexylamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of X-Ray Crystal Structure of Vibrio Alkaline Phosphatase with the Non- Competitive Inhibitor Cyclohexylamine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl606 b:56.8 occ:1.00 O B:HOH766 3.2 43.6 1.0 N B:HAI609 3.6 52.7 1.0 NZ B:LYS486 3.9 44.3 1.0 CD B:LYS486 3.9 43.7 1.0 O B:HOH705 4.0 49.5 1.0 CE B:LYS486 4.1 40.9 1.0 CG A:GLN46 4.2 38.8 1.0 NE2 A:GLN46 4.3 41.2 1.0 CD A:GLN46 4.3 40.5 1.0 O A:HOH744 4.4 39.8 1.0 C2 B:HAI609 4.4 45.7 1.0 C1 B:HAI609 4.5 48.0 1.0 O B:PRO483 4.6 38.2 1.0 CB B:PRO483 4.8 40.9 1.0 C6 B:HAI609 4.8 43.4 1.0 OE1 A:GLN46 5.0 47.0 1.0

B.Asgeirsson, S.Markusson, S.S.Hlynsdottir, R.Helland, J.G.Hjorleifsson. X-Ray Crystal Structure of Vibrio Alkaline Phosphatase with the Non-Competitive Inhibitor Cyclohexylamine. Biochem Biophys Rep V. 24 00830 2020.
ISSN: ESSN 2405-5808
PubMed: 33102813
DOI: 10.1016/J.BBREP.2020.100830