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

Protein crystallography data

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

Other elements in 3u52:

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

Copper Binding Sites:

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 3u52

Go back to Copper Binding Sites List in 3u52
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 3u52

Go back to Copper Binding Sites List in 3u52
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

Reference:

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
Page generated: Sun Dec 13 11:12:30 2020

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