Zinc in PDB 3u52: X-Ray Crystal Structure of Xenon-Pressurized Phenol Hydroxylase From Pseudomonas Sp. OX1

The structure of X-Ray Crystal Structure of Xenon-Pressurized Phenol Hydroxylase From Pseudomonas Sp. OX1, PDB code: 3u52 was solved by M.S.Mccormick, S.J.Lippard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.00 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	83.942, 141.761, 181.207, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 22.8

The structure of X-Ray Crystal Structure of Xenon-Pressurized Phenol Hydroxylase From Pseudomonas Sp. OX1 also contains other interesting chemical elements:

Xenon	(Xe)	24 atoms
Iron	(Fe)	4 atoms
Copper	(Cu)	2 atoms

The binding sites of Zinc atom in the X-Ray Crystal Structure of Xenon-Pressurized Phenol Hydroxylase From Pseudomonas Sp. OX1 (pdb code 3u52). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the X-Ray Crystal Structure of Xenon-Pressurized Phenol Hydroxylase From Pseudomonas Sp. OX1, PDB code: 3u52:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the X-Ray Crystal Structure of Xenon-Pressurized Phenol Hydroxylase From Pseudomonas Sp. OX1


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 Xenon-Pressurized Phenol Hydroxylase From Pseudomonas Sp. OX1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn514 b:19.7 occ:1.00 SG A:CYS436 2.3 18.7 1.0 SG A:CYS402 2.3 16.8 1.0 SG A:CYS432 2.4 17.7 1.0 SG A:CYS399 2.4 16.7 1.0 CB A:CYS399 3.2 17.3 1.0 CB A:CYS436 3.2 17.1 1.0 CB A:CYS402 3.2 17.4 1.0 CB A:CYS432 3.7 16.5 1.0 N A:CYS402 3.7 18.2 1.0 CA A:CYS402 4.0 18.1 1.0 N A:CYS432 4.0 18.9 1.0 NE A:ARG271 4.3 18.4 1.0 OG A:SER433 4.4 19.7 1.0 CA A:CYS432 4.5 17.1 1.0 CA A:CYS436 4.6 17.4 1.0 CG A:ARG271 4.6 14.4 1.0 CA A:CYS399 4.7 18.0 1.0 C A:CYS402 4.8 18.5 1.0 C A:VAL401 4.8 18.4 1.0 CD A:ARG271 4.8 16.0 1.0 N A:GLN403 4.8 17.3 1.0 CB A:VAL401 4.9 17.6 1.0

Zinc binding site 2 out of 2 in the X-Ray Crystal Structure of Xenon-Pressurized Phenol Hydroxylase From Pseudomonas Sp. OX1


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 Xenon-Pressurized Phenol Hydroxylase From Pseudomonas Sp. OX1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn514 b:23.7 occ:1.00 SG B:CYS436 2.2 23.0 1.0 SG B:CYS402 2.3 20.5 1.0 SG B:CYS399 2.4 19.6 1.0 SG B:CYS432 2.4 25.5 1.0 CB B:CYS399 3.2 18.1 1.0 CB B:CYS436 3.2 22.7 1.0 CB B:CYS402 3.2 21.0 1.0 N B:CYS402 3.6 21.3 1.0 CB B:CYS432 3.7 23.8 1.0 CA B:CYS402 4.0 21.3 1.0 N B:CYS432 4.0 23.4 1.0 OG B:SER433 4.4 24.2 1.0 NE B:ARG271 4.4 25.4 1.0 CA B:CYS432 4.5 24.2 1.0 CG B:ARG271 4.6 20.3 1.0 CA B:CYS436 4.7 23.1 1.0 CA B:CYS399 4.7 19.6 1.0 C B:VAL401 4.8 21.3 1.0 CD B:ARG271 4.8 22.0 1.0 CB B:VAL401 4.8 20.7 1.0 C B:CYS402 4.8 21.3 1.0 N B:GLN403 4.8 19.9 1.0 NE1 B:TRP267 4.9 22.3 1.0

M.S.Mccormick, S.J.Lippard. Analysis of Substrate Access to Active Sites in Bacterial Multicomponent Monooxygenase Hydroxylases: X-Ray Crystal Structure of Xenon-Pressurized Phenol Hydroxylase From Pseudomonas Sp. OX1. Biochemistry V. 50 11058 2011.
ISSN: ISSN 0006-2960
PubMed: 22136180
DOI: 10.1021/BI201248B