Zinc in PDB 8zu5: Crystal Structure of Methyl Parathion Hydrolase Mutant A66D/I143V/I145L/Q272D/S279A/

The structure of Crystal Structure of Methyl Parathion Hydrolase Mutant A66D/I143V/I145L/Q272D/S279A/, PDB code: 8zu5 was solved by F.Xu, S.Fan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.32 / 1.83
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	58.801, 83.719, 115.492, 90, 94.33, 90
R / Rfree (%)	20.8 / 24.2

The binding sites of Zinc atom in the Crystal Structure of Methyl Parathion Hydrolase Mutant A66D/I143V/I145L/Q272D/S279A/ (pdb code 8zu5). 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 Methyl Parathion Hydrolase Mutant A66D/I143V/I145L/Q272D/S279A/, PDB code: 8zu5:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of Methyl Parathion Hydrolase Mutant A66D/I143V/I145L/Q272D/S279A/


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 Methyl Parathion Hydrolase Mutant A66D/I143V/I145L/Q272D/S279A/ within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:24.0 occ:1.00 NE2 A:HIS234 2.2 23.1 1.0 OD2 A:ASP255 2.2 18.2 1.0 ND1 A:HIS149 2.3 18.9 1.0 NE2 A:HIS147 2.3 18.1 1.0 CE1 A:HIS234 3.1 24.7 1.0 CE1 A:HIS149 3.2 24.4 1.0 ZN A:ZN402 3.2 22.9 1.0 CD2 A:HIS147 3.2 19.8 1.0 CD2 A:HIS234 3.3 19.0 1.0 CG A:ASP255 3.3 15.2 1.0 CG A:HIS149 3.3 25.8 1.0 CE1 A:HIS147 3.3 15.4 1.0 CB A:HIS149 3.7 21.9 1.0 CB A:ASP255 3.8 18.0 1.0 NE2 A:HIS152 4.2 15.7 1.0 ND1 A:HIS234 4.2 26.6 1.0 NE2 A:HIS149 4.3 22.7 1.0 CG A:HIS234 4.3 23.8 1.0 OD1 A:ASP255 4.4 18.3 1.0 CD2 A:HIS149 4.4 33.4 1.0 CD2 A:HIS152 4.4 16.1 1.0 CG A:HIS147 4.4 15.5 1.0 ND1 A:HIS147 4.4 14.8 1.0 CD2 A:LEU258 4.8 22.4 1.0 OD2 A:ASP151 4.8 18.9 1.0 OD1 A:ASP151 4.9 23.1 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of Methyl Parathion Hydrolase Mutant A66D/I143V/I145L/Q272D/S279A/


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 Methyl Parathion Hydrolase Mutant A66D/I143V/I145L/Q272D/S279A/ within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:22.9 occ:1.00 OD2 A:ASP151 2.2 18.9 1.0 NE2 A:HIS302 2.2 17.5 1.0 OD2 A:ASP255 2.3 18.2 1.0 NE2 A:HIS152 2.3 15.7 1.0 CD2 A:HIS152 2.9 16.1 1.0 CG A:ASP255 3.2 15.2 1.0 CE1 A:HIS302 3.2 17.5 1.0 ZN A:ZN401 3.2 24.0 1.0 CG A:ASP151 3.2 18.8 1.0 CD2 A:HIS302 3.3 22.2 1.0 OD1 A:ASP255 3.3 18.3 1.0 CE1 A:HIS152 3.5 19.0 1.0 OD1 A:ASP151 3.6 23.1 1.0 NE2 A:HIS147 4.0 18.1 1.0 CE1 A:HIS147 4.2 15.4 1.0 CG A:HIS152 4.2 16.1 1.0 ND1 A:HIS302 4.3 20.2 1.0 CG A:HIS302 4.4 22.4 1.0 ND1 A:HIS152 4.4 17.9 1.0 CB A:ASP151 4.5 23.0 1.0 CB A:ASP255 4.6 18.0 1.0 CB A:HIS149 4.9 21.9 1.0 ND1 A:HIS149 4.9 18.9 1.0 CD2 A:LEU258 4.9 22.4 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of Methyl Parathion Hydrolase Mutant A66D/I143V/I145L/Q272D/S279A/


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 Methyl Parathion Hydrolase Mutant A66D/I143V/I145L/Q272D/S279A/ within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:19.4 occ:1.00 OD2 B:ASP255 2.2 15.4 1.0 NE2 B:HIS234 2.3 12.9 1.0 ND1 B:HIS149 2.3 15.3 1.0 NE2 B:HIS147 2.3 12.7 1.0 CE1 B:HIS234 3.2 19.1 1.0 ZN B:ZN402 3.2 18.4 1.0 CE1 B:HIS149 3.2 20.6 1.0 CD2 B:HIS147 3.3 13.0 1.0 CG B:HIS149 3.3 18.2 1.0 CE1 B:HIS147 3.3 12.7 1.0 CG B:ASP255 3.3 15.2 1.0 CD2 B:HIS234 3.3 12.9 1.0 CB B:HIS149 3.6 15.9 1.0 CB B:ASP255 3.8 15.3 1.0 NE2 B:HIS152 4.2 12.4 1.0 NE2 B:HIS149 4.3 19.4 1.0 ND1 B:HIS234 4.3 19.3 1.0 OD1 B:ASP255 4.4 15.1 1.0 CD2 B:HIS149 4.4 17.7 1.0 ND1 B:HIS147 4.4 13.7 1.0 CG B:HIS147 4.4 14.4 1.0 CG B:HIS234 4.4 15.5 1.0 CD2 B:HIS152 4.4 13.3 1.0 OD1 B:ASP151 4.6 17.5 1.0 OD2 B:ASP151 4.8 14.8 1.0 CD2 B:LEU258 4.8 20.3 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of Methyl Parathion Hydrolase Mutant A66D/I143V/I145L/Q272D/S279A/


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 Methyl Parathion Hydrolase Mutant A66D/I143V/I145L/Q272D/S279A/ within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:18.4 occ:1.00 OD2 B:ASP151 2.1 14.8 1.0 OD2 B:ASP255 2.2 15.4 1.0 NE2 B:HIS302 2.2 15.5 1.0 NE2 B:HIS152 2.3 12.4 1.0 CD2 B:HIS152 3.0 13.3 1.0 CG B:ASP255 3.1 15.2 1.0 CG B:ASP151 3.1 14.9 1.0 CD2 B:HIS302 3.1 14.4 1.0 ZN B:ZN401 3.2 19.4 1.0 CE1 B:HIS302 3.2 14.7 1.0 OD1 B:ASP255 3.3 15.1 1.0 OD1 B:ASP151 3.4 17.5 1.0 CE1 B:HIS152 3.4 15.9 1.0 NE2 B:HIS147 4.1 12.7 1.0 CE1 B:HIS147 4.2 12.7 1.0 CG B:HIS152 4.3 12.6 1.0 CG B:HIS302 4.3 14.2 1.0 ND1 B:HIS302 4.3 14.4 1.0 CB B:ASP151 4.4 14.2 1.0 ND1 B:HIS152 4.4 14.5 1.0 CB B:ASP255 4.5 15.3 1.0 CD2 B:LEU258 4.8 20.3 1.0 CB B:HIS149 4.9 15.9 1.0 ND1 B:HIS149 5.0 15.3 1.0

F.Xu, S.Fan, Y.Li. Crystal Structure of Methyl Parathion Hydrolase Mutant A66D/I143V/I145L/Q272D/S279A/ To Be Published.