Zinc 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
Chlorine	(Cl)	6 atoms

The binding sites of Zinc 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 Zinc atom.
In total 4 binding sites of Zinc where determined in the X-Ray Crystal Structure of Vibrio Alkaline Phosphatase with the Non- Competitive Inhibitor Cyclohexylamine, PDB code: 6t26:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 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 Zinc with other atoms in the Zn 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:Zn601 b:35.0 occ:1.00 NE2 A:HIS277 2.1 38.4 1.0 O1 A:PO4607 2.1 37.1 1.0 NE2 A:HIS465 2.1 29.4 1.0 OD1 A:ASP273 2.2 32.4 1.0 OD2 A:ASP273 2.4 35.3 1.0 CG A:ASP273 2.6 34.1 1.0 O4 A:PO4607 2.6 32.3 1.0 P A:PO4607 2.8 31.7 1.0 CD2 A:HIS277 2.9 36.4 1.0 CE1 A:HIS465 3.0 28.9 1.0 CD2 A:HIS465 3.1 29.7 1.0 CE1 A:HIS277 3.1 34.8 1.0 O3 A:PO4607 3.7 32.1 1.0 CE1 A:HIS316 3.9 32.1 1.0 N A:HAI608 4.0 35.8 1.0 C6 A:HAI608 4.0 41.2 1.0 ZN A:ZN602 4.0 35.7 1.0 O2 A:PO4607 4.1 34.7 1.0 O A:HOH731 4.1 32.2 1.0 CB A:ASP273 4.1 31.8 1.0 CG A:HIS277 4.1 32.8 1.0 NE2 A:HIS316 4.1 32.8 1.0 ND1 A:HIS465 4.1 30.2 1.0 ND1 A:HIS277 4.2 34.2 1.0 OG1 A:THR318 4.2 37.3 1.0 CG A:HIS465 4.2 31.5 1.0 O B:HOH772 4.3 31.7 1.0 OD1 A:ASP12 4.6 37.3 1.0 C1 A:HAI608 4.7 40.7 1.0 OH B:TYR325 4.7 34.7 1.0 O A:ASP273 4.8 32.5 1.0 CG2 A:THR318 4.8 31.3 1.0

Zinc binding site 2 out of 4 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 Zinc with other atoms in the Zn 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:Zn602 b:35.7 occ:1.00 OD1 A:ASP12 1.9 37.3 1.0 O4 A:PO4607 1.9 32.3 1.0 NE2 A:HIS316 2.0 32.8 1.0 OD2 A:ASP315 2.1 37.0 1.0 CG A:ASP12 2.7 35.1 1.0 CE1 A:HIS316 2.8 32.1 1.0 OD2 A:ASP12 3.0 31.7 1.0 CD2 A:HIS316 3.0 30.9 1.0 CG A:ASP315 3.0 34.0 1.0 OG A:SER65 3.1 42.3 1.0 CB A:SER65 3.1 37.4 1.0 P A:PO4607 3.3 31.7 1.0 OD1 A:ASP315 3.3 34.9 1.0 OD1 A:ASP273 3.7 32.4 1.0 O3 A:PO4607 3.8 32.1 1.0 CA A:SER65 3.8 31.6 1.0 ND1 A:HIS316 3.9 30.2 1.0 O2 A:PO4607 3.9 34.7 1.0 CG A:HIS316 4.0 31.0 1.0 CG A:ASP273 4.0 34.1 1.0 CE1 A:HIS465 4.0 28.9 1.0 ZN A:ZN601 4.0 35.0 1.0 N A:SER65 4.1 30.4 1.0 CB A:ASP12 4.1 32.3 1.0 N A:GLY13 4.3 34.8 1.0 NE2 A:HIS465 4.3 29.4 1.0 O1 A:PO4607 4.4 37.1 1.0 CB A:ASP315 4.4 31.5 1.0 O A:HOH714 4.4 34.1 1.0 CB A:ASP273 4.4 31.8 1.0 OD2 A:ASP273 4.5 35.3 1.0 CA A:ASP12 4.5 34.7 1.0 C A:ASP12 4.6 32.0 1.0 O A:HOH731 4.6 32.2 1.0 MG A:MG603 4.7 33.2 1.0 ND1 A:HIS465 4.7 30.2 1.0

Zinc binding site 3 out of 4 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 Zinc with other atoms in the Zn 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 B:Zn601 b:32.9 occ:1.00 NE2 B:HIS277 2.0 31.4 1.0 O1 B:PO4607 2.1 33.9 1.0 NE2 B:HIS465 2.1 32.0 1.0 OD1 B:ASP273 2.1 32.0 1.0 OD2 B:ASP273 2.3 30.0 1.0 CG B:ASP273 2.5 32.4 1.0 O2 B:PO4607 2.6 34.8 1.0 P B:PO4607 2.9 34.8 1.0 CD2 B:HIS277 2.9 30.4 1.0 CE1 B:HIS465 3.0 33.0 1.0 CE1 B:HIS277 3.1 31.9 1.0 CD2 B:HIS465 3.1 29.9 1.0 O3 B:PO4607 3.8 35.1 1.0 CE1 B:HIS316 3.8 34.1 1.0 CB B:ASP273 4.0 27.7 1.0 O4 B:PO4607 4.0 30.3 1.0 O B:HOH729 4.0 31.5 1.0 ZN B:ZN602 4.1 36.9 1.0 NE2 B:HIS316 4.1 35.8 1.0 CG B:HIS277 4.1 31.4 1.0 ND1 B:HIS277 4.1 33.7 1.0 C6 B:HAI608 4.1 31.3 1.0 ND1 B:HIS465 4.2 32.4 1.0 CG B:HIS465 4.2 32.8 1.0 OG1 B:THR318 4.2 35.8 1.0 O B:HOH803 4.3 32.5 1.0 N B:HAI608 4.4 32.0 1.0 OD1 B:ASP12 4.5 34.3 1.0 OH A:TYR325 4.7 33.7 1.0 CG2 B:THR318 4.7 32.8 1.0 O B:ASP273 4.8 32.5 1.0 CA B:ASP273 4.9 31.4 1.0 C1 B:HAI608 4.9 40.7 1.0

Zinc binding site 4 out of 4 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 Zinc with other atoms in the Zn 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:Zn602 b:36.9 occ:1.00 OD1 B:ASP12 1.9 34.3 1.0 O2 B:PO4607 1.9 34.8 1.0 NE2 B:HIS316 1.9 35.8 1.0 OD2 B:ASP315 2.1 37.1 1.0 CG B:ASP12 2.7 35.9 1.0 CE1 B:HIS316 2.8 34.1 1.0 OD2 B:ASP12 2.8 33.4 1.0 CD2 B:HIS316 2.9 31.7 1.0 CB B:SER65 3.0 37.0 1.0 CG B:ASP315 3.1 35.9 1.0 OG B:SER65 3.2 44.8 1.0 P B:PO4607 3.3 34.8 1.0 OD1 B:ASP315 3.3 34.3 1.0 CA B:SER65 3.8 35.2 1.0 O3 B:PO4607 3.8 35.1 1.0 O4 B:PO4607 3.8 30.3 1.0 OD1 B:ASP273 3.8 32.0 1.0 ND1 B:HIS316 3.9 31.1 1.0 CG B:HIS316 3.9 31.2 1.0 N B:SER65 4.0 31.4 1.0 CG B:ASP273 4.0 32.4 1.0 CE1 B:HIS465 4.0 33.0 1.0 ZN B:ZN601 4.1 32.9 1.0 CB B:ASP12 4.1 30.6 1.0 N B:GLY13 4.3 33.1 1.0 NE2 B:HIS465 4.3 32.0 1.0 O1 B:PO4607 4.4 33.9 1.0 CB B:ASP315 4.4 33.9 1.0 CB B:ASP273 4.4 27.7 1.0 OD2 B:ASP273 4.5 30.0 1.0 CA B:ASP12 4.5 32.0 1.0 O B:HOH729 4.5 31.5 1.0 MG B:MG603 4.5 35.5 1.0 O B:HOH814 4.6 35.4 1.0 C B:ASP12 4.6 34.0 1.0 ND1 B:HIS465 4.8 32.4 1.0 C B:ASP64 5.0 35.1 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