Zinc in PDB 4o98: Crystal Structure of Pseudomonas Oleovorans Pooph Mutant H250I/I263W

The structure of Crystal Structure of Pseudomonas Oleovorans Pooph Mutant H250I/I263W, PDB code: 4o98 was solved by X.J.Luo, X.D.Kong, J.Zhao, Q.Chen, J.H.Zhou, J.H.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.23 / 2.25
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	116.742, 116.742, 83.395, 90.00, 90.00, 120.00
R / Rfree (%)	17.7 / 22

The binding sites of Zinc atom in the Crystal Structure of Pseudomonas Oleovorans Pooph Mutant H250I/I263W (pdb code 4o98). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of Pseudomonas Oleovorans Pooph Mutant H250I/I263W, PDB code: 4o98:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of Pseudomonas Oleovorans Pooph Mutant H250I/I263W


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Pseudomonas Oleovorans Pooph Mutant H250I/I263W within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:33.7 occ:1.00 NE2 A:HIS294 2.0 29.1 1.0 CE1 A:HIS144 2.0 32.4 1.0 OD2 A:ASP247 2.1 32.9 1.0 OD2 A:ASP143 2.2 32.0 1.0 O A:HOH602 2.3 33.2 1.0 CE1 A:HIS294 2.9 28.4 1.0 CG A:ASP247 2.9 31.9 1.0 NE2 A:HIS144 3.0 32.2 1.0 OD1 A:ASP247 3.0 31.8 1.0 ND1 A:HIS144 3.1 35.1 1.0 CD2 A:HIS294 3.1 30.5 1.0 ZN A:ZN402 3.1 38.9 1.0 CG A:ASP143 3.1 35.5 1.0 OD1 A:ASP143 3.5 33.6 1.0 ND1 A:HIS294 4.0 24.9 1.0 NE2 A:HIS139 4.0 34.1 1.0 CD2 A:HIS144 4.2 27.7 1.0 CG A:HIS294 4.2 32.6 1.0 CG A:HIS144 4.2 34.2 1.0 CE1 A:HIS139 4.2 31.3 1.0 CB A:ASP247 4.3 33.6 1.0 CB A:ASP143 4.5 33.5 1.0 NE2 A:HIS226 4.8 31.7 1.0 ND1 A:HIS141 4.9 33.9 1.0 CD1 A:ILE250 5.0 35.6 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of Pseudomonas Oleovorans Pooph Mutant H250I/I263W


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Pseudomonas Oleovorans Pooph Mutant H250I/I263W within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:38.9 occ:1.00 O A:HOH602 2.1 33.2 1.0 NE2 A:HIS226 2.2 31.7 1.0 ND1 A:HIS141 2.2 33.9 1.0 NE2 A:HIS139 2.3 34.1 1.0 OD2 A:ASP247 2.4 32.9 1.0 CD2 A:HIS226 3.1 30.1 1.0 ZN A:ZN401 3.1 33.7 1.0 CD2 A:HIS139 3.1 33.2 1.0 CE1 A:HIS141 3.2 37.5 1.0 CE1 A:HIS226 3.2 33.0 1.0 CG A:HIS141 3.3 35.6 1.0 CG A:ASP247 3.3 31.9 1.0 CE1 A:HIS139 3.4 31.3 1.0 CB A:HIS141 3.6 34.2 1.0 CE1 A:HIS144 3.8 32.4 1.0 CB A:ASP247 3.9 33.6 1.0 ND1 A:HIS144 4.1 35.1 1.0 CG A:HIS226 4.3 34.2 1.0 OD1 A:ASP247 4.3 31.8 1.0 ND1 A:HIS226 4.3 34.6 1.0 NE2 A:HIS141 4.3 39.2 1.0 CG A:HIS139 4.3 32.8 1.0 CD2 A:HIS141 4.4 35.7 1.0 OD1 A:ASP143 4.4 33.6 1.0 ND1 A:HIS139 4.4 30.2 1.0 OD2 A:ASP143 4.7 32.0 1.0 NE2 A:HIS144 4.7 32.2 1.0 NE2 A:HIS294 4.8 29.1 1.0 CG A:ASP143 5.0 35.5 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of Pseudomonas Oleovorans Pooph Mutant H250I/I263W


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Pseudomonas Oleovorans Pooph Mutant H250I/I263W within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:35.8 occ:1.00 OD2 B:ASP247 1.9 33.1 1.0 NE2 B:HIS294 2.1 32.4 1.0 NE2 B:HIS144 2.1 35.0 1.0 OD2 B:ASP143 2.1 31.2 1.0 O B:HOH601 2.2 32.5 1.0 CG B:ASP247 2.9 35.6 1.0 CD2 B:HIS144 2.9 35.5 1.0 CE1 B:HIS294 3.0 33.9 1.0 OD1 B:ASP247 3.1 33.9 1.0 CD2 B:HIS294 3.1 29.4 1.0 ZN B:ZN402 3.1 39.1 1.0 CG B:ASP143 3.1 34.9 1.0 CE1 B:HIS144 3.2 37.3 1.0 OD1 B:ASP143 3.5 33.7 1.0 NE2 B:HIS139 4.1 34.0 1.0 CG B:HIS144 4.1 35.8 1.0 ND1 B:HIS294 4.1 28.9 1.0 CG B:HIS294 4.2 30.2 1.0 ND1 B:HIS144 4.2 33.4 1.0 CE1 B:HIS139 4.2 32.9 1.0 CB B:ASP247 4.3 32.8 1.0 CB B:ASP143 4.5 31.7 1.0 O B:HOH599 4.5 53.0 1.0 NE2 B:HIS226 4.8 33.7 1.0 ND1 B:HIS141 4.9 36.9 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of Pseudomonas Oleovorans Pooph Mutant H250I/I263W


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Pseudomonas Oleovorans Pooph Mutant H250I/I263W within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:39.1 occ:1.00 NE2 B:HIS226 2.1 33.7 1.0 O B:HOH601 2.1 32.5 1.0 ND1 B:HIS141 2.3 36.9 1.0 NE2 B:HIS139 2.3 34.0 1.0 OD2 B:ASP247 2.4 33.1 1.0 CD2 B:HIS226 3.0 36.1 1.0 CE1 B:HIS226 3.0 37.8 1.0 ZN B:ZN401 3.1 35.8 1.0 CD2 B:HIS139 3.2 34.9 1.0 CE1 B:HIS141 3.2 37.2 1.0 CG B:HIS141 3.3 37.8 1.0 CE1 B:HIS139 3.4 32.9 1.0 CG B:ASP247 3.4 35.6 1.0 CB B:HIS141 3.6 38.1 1.0 CB B:ASP247 3.9 32.8 1.0 NE2 B:HIS144 3.9 35.0 1.0 CD2 B:HIS144 4.1 35.5 1.0 ND1 B:HIS226 4.1 37.2 1.0 CG B:HIS226 4.2 34.0 1.0 NE2 B:HIS141 4.3 36.3 1.0 CG B:HIS139 4.4 34.5 1.0 OD1 B:ASP143 4.4 33.7 1.0 CD2 B:HIS141 4.4 39.4 1.0 OD1 B:ASP247 4.4 33.9 1.0 ND1 B:HIS139 4.4 32.6 1.0 OD2 B:ASP143 4.6 31.2 1.0 NE2 B:HIS294 4.9 32.4 1.0 CG B:ASP143 4.9 34.9 1.0 CE1 B:HIS144 4.9 37.3 1.0

X.J.Luo, X.D.Kong, J.Zhao, Q.Chen, J.Zhou, J.H.Xu. Switching A Newly Discovered Lactonase Into An Efficient and Thermostable Phosphotriesterase By Simple Double Mutations HIS250ILE/ILE263TRP Biotechnol.Bioeng. V. 111 1920 2014.
ISSN: ISSN 0006-3592
PubMed: 24771278
DOI: 10.1002/BIT.25272