Copper 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
Zinc	(Zn)	2 atoms
Iron	(Fe)	4 atoms

The binding sites of Copper 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 Copper atom.
In total 2 binding sites of Copper where determined in the X-Ray Crystal Structure of Xenon-Pressurized Phenol Hydroxylase From Pseudomonas Sp. OX1, PDB code: 3u52:
Jump to Copper binding site number: 1; 2;

Copper 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 Copper with other atoms in the Cu 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:Cu515 b:32.7 occ:1.00 NE2 A:HIS494 2.0 38.9 1.0 ND1 A:HIS155 2.1 20.4 1.0 CE1 A:HIS494 2.9 39.6 1.0 CG A:HIS155 2.9 22.4 1.0 CD2 A:HIS494 3.0 34.1 1.0 CB A:HIS155 3.1 21.0 1.0 CE1 A:HIS155 3.2 23.7 1.0 CA A:HIS155 3.5 21.4 1.0 O A:HIS155 3.8 21.1 1.0 CD1 C:ILE13 3.9 32.2 1.0 O A:HOH538 3.9 33.9 1.0 ND1 A:HIS494 4.0 38.9 1.0 CG A:HIS494 4.1 34.2 1.0 CD2 A:HIS155 4.1 23.0 1.0 C A:HIS155 4.2 21.0 1.0 NE2 A:HIS155 4.2 23.9 1.0 NE2 A:HIS85 4.3 27.9 1.0 CD1 A:ILE498 4.4 42.1 1.0 CA C:PRO12 4.4 33.9 1.0 N C:PRO12 4.4 35.3 1.0 O A:LYS154 4.7 22.6 1.0 N A:HIS155 4.8 21.0 1.0 CD2 A:HIS85 4.8 26.0 1.0 N C:ILE13 5.0 31.6 1.0 CG1 A:ILE498 5.0 40.9 1.0

Copper 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 Copper with other atoms in the Cu 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:Cu515 b:33.8 occ:1.00 NE2 B:HIS494 2.0 37.2 1.0 ND1 B:HIS155 2.1 23.3 1.0 CG B:HIS155 2.9 21.1 1.0 CE1 B:HIS494 3.0 38.1 1.0 CD2 B:HIS494 3.0 35.5 1.0 CB B:HIS155 3.0 21.8 1.0 CE1 B:HIS155 3.2 22.6 1.0 CA B:HIS155 3.5 22.7 1.0 O B:HOH570 3.7 38.0 1.0 O B:HIS155 3.9 24.6 1.0 O D:GLU11 3.9 53.2 1.0 CD1 D:ILE13 4.1 39.7 1.0 ND1 B:HIS494 4.1 38.0 1.0 CD2 B:HIS155 4.1 21.1 1.0 CG B:HIS494 4.2 36.2 1.0 C B:HIS155 4.2 23.5 1.0 NE2 B:HIS155 4.2 23.1 1.0 NE2 B:HIS85 4.3 27.2 1.0 CD1 B:ILE498 4.4 43.5 1.0 CG1 D:VAL10 4.5 64.6 1.0 O B:LYS154 4.7 24.2 1.0 N B:HIS155 4.7 22.1 1.0 CA D:PRO12 4.7 47.9 1.0 N D:ILE13 4.8 41.2 1.0 CD2 B:HIS85 4.8 26.5 1.0 C D:GLU11 4.8 54.1 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