Copper in PDB 1wae: Crystal Structure of H129V Mutant of Alcaligenes Xylosoxidans Nitrite Reductase

All present enzymatic activity of Crystal Structure of H129V Mutant of Alcaligenes Xylosoxidans Nitrite Reductase:
1.7.2.1; 1.7.99.3;

The structure of Crystal Structure of H129V Mutant of Alcaligenes Xylosoxidans Nitrite Reductase, PDB code: 1wae was solved by M.J.Ellis, S.V.Antonyuk, R.W.Strange, G.Sawers, R.R.Eady, S.S.Hasnain, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.01 / 1.95
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	91.206, 91.206, 145.866, 90.00, 90.00, 120.00
R / Rfree (%)	20.1 / 22.6

The structure of Crystal Structure of H129V Mutant of Alcaligenes Xylosoxidans Nitrite Reductase also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Copper atom in the Crystal Structure of H129V Mutant of Alcaligenes Xylosoxidans Nitrite Reductase (pdb code 1wae). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Crystal Structure of H129V Mutant of Alcaligenes Xylosoxidans Nitrite Reductase, PDB code: 1wae:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Crystal Structure of H129V Mutant of Alcaligenes Xylosoxidans Nitrite Reductase


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure of H129V Mutant of Alcaligenes Xylosoxidans Nitrite Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu501 b:33.0 occ:1.00 ND1 A:HIS139 2.0 30.0 1.0 ND1 A:HIS89 2.1 34.3 1.0 SG A:CYS130 2.1 35.8 1.0 SD A:MET144 2.5 34.4 1.0 CE1 A:HIS139 2.9 32.7 1.0 CG A:HIS89 3.1 35.8 1.0 CE1 A:HIS89 3.1 34.8 1.0 CG A:HIS139 3.1 28.8 1.0 CB A:CYS130 3.2 32.7 1.0 CB A:HIS89 3.4 35.9 1.0 CE A:MET144 3.5 33.0 1.0 CB A:HIS139 3.6 25.5 1.0 CA A:HIS89 3.9 36.4 1.0 CG A:PRO132 4.0 36.9 1.0 NE2 A:HIS139 4.0 32.7 1.0 CG A:MET144 4.1 31.5 1.0 NE2 A:HIS89 4.2 35.6 1.0 O A:PRO88 4.2 36.5 1.0 CD2 A:HIS139 4.2 30.9 1.0 CD2 A:HIS89 4.2 36.7 1.0 SD A:MET56 4.5 35.7 1.0 CD A:PRO132 4.5 35.7 1.0 CA A:CYS130 4.6 32.4 1.0 CB A:MET144 4.7 27.3 1.0 CA A:HIS139 4.8 25.4 1.0 C A:CYS130 4.8 33.1 1.0 N A:ASN90 4.8 35.2 1.0 N A:HIS89 4.9 36.9 1.0 O A:CYS130 4.9 32.9 1.0 C A:PRO88 4.9 37.3 1.0 C A:HIS89 5.0 36.4 1.0

Copper binding site 2 out of 2 in the Crystal Structure of H129V Mutant of Alcaligenes Xylosoxidans Nitrite Reductase


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Crystal Structure of H129V Mutant of Alcaligenes Xylosoxidans Nitrite Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu502 b:42.4 occ:1.00 NE2 A:HIS94 2.1 28.0 1.0 CE1 A:HIS94 2.8 28.3 1.0 CD2 A:HIS94 3.2 27.7 1.0 OD2 A:ASP92 3.7 39.0 1.0 ND1 A:HIS94 4.0 30.2 1.0 CG2 A:VAL129 4.1 30.4 1.0 CG A:HIS94 4.2 28.5 1.0 CG A:ASP92 4.5 35.1 1.0 CG1 A:VAL129 4.9 31.1 1.0 OD1 A:ASP92 5.0 34.3 1.0

M.J.Ellis, S.V.Antonyuk, R.W.Strange, G.Sawers, R.R.Eady, S.S.Hasnain. Observation of An Unprecedented Cu Bis-His Site: Crystal Structure of the H129V Mutant of Nitrite Reductase Inorg.Chem. V. 43 7591 2004.
ISSN: ISSN 0020-1669
PubMed: 15554622
DOI: 10.1021/IC048966P