Copper in PDB 1wa1: Crystal Structure of H313Q Mutant of Alcaligenes Xylosoxidans Nitrite Reductase

The structure of Crystal Structure of H313Q Mutant of Alcaligenes Xylosoxidans Nitrite Reductase, PDB code: 1wa1 was solved by M.L.Barrett, R.L.Harris, S.V.Antonyuk, R.W.Strange, M.A.Hough, R.R.Eady, G.Sawers, S.S.Hasnain, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	69.01 / 1.65
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	90.156, 90.156, 143.677, 90.00, 90.00, 120.00
R / Rfree (%)	16.6 / 19.1

The structure of Crystal Structure of H313Q 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 H313Q Mutant of Alcaligenes Xylosoxidans Nitrite Reductase (pdb code 1wa1). 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 H313Q Mutant of Alcaligenes Xylosoxidans Nitrite Reductase, PDB code: 1wa1:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Crystal Structure of H313Q 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 H313Q Mutant of Alcaligenes Xylosoxidans Nitrite Reductase within 5.0Å range: probe atom residue distance (Å) B Occ X:Cu501 b:25.3 occ:1.00 ND1 X:HIS139 2.0 19.8 1.0 ND1 X:HIS89 2.1 21.9 1.0 SG X:CYS130 2.2 22.3 1.0 SD X:MET144 2.6 23.6 1.0 CE1 X:HIS139 3.0 21.6 1.0 CE1 X:HIS89 3.0 25.2 1.0 CG X:HIS139 3.1 22.4 1.0 CG X:HIS89 3.1 26.1 1.0 CB X:CYS130 3.1 21.4 1.0 CE X:MET144 3.4 25.8 1.0 CB X:HIS139 3.5 21.0 1.0 CB X:HIS89 3.5 24.9 1.0 CA X:HIS89 3.8 25.2 1.0 CG X:PRO132 4.0 26.4 1.0 NE2 X:HIS139 4.1 22.6 1.0 CG X:MET144 4.1 22.1 1.0 O X:PRO88 4.1 26.2 1.0 NE2 X:HIS89 4.2 24.7 1.0 CD2 X:HIS139 4.2 23.6 1.0 CD2 X:HIS89 4.2 24.3 1.0 CD X:PRO132 4.4 24.8 1.0 SD X:MET56 4.5 26.3 1.0 CB X:MET144 4.5 19.2 1.0 CA X:CYS130 4.5 21.0 1.0 CA X:HIS139 4.7 19.4 1.0 N X:ASN90 4.7 24.5 1.0 N X:HIS89 4.8 25.8 1.0 C X:PRO88 4.9 26.9 1.0 C X:HIS89 4.9 25.2 1.0

Copper binding site 2 out of 2 in the Crystal Structure of H313Q 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 H313Q Mutant of Alcaligenes Xylosoxidans Nitrite Reductase within 5.0Å range: probe atom residue distance (Å) B Occ X:Cu502 b:21.8 occ:1.00 NE2 X:HIS129 2.0 20.6 1.0 O X:HOH2136 2.0 32.2 1.0 NE2 X:HIS94 2.0 20.4 1.0 CE1 X:HIS94 2.9 21.4 1.0 CD2 X:HIS129 2.9 17.4 1.0 CE1 X:HIS129 3.0 22.1 1.0 CD2 X:HIS94 3.2 20.8 1.0 OD2 X:ASP92 3.7 30.4 1.0 ND1 X:HIS94 4.1 20.5 1.0 CG X:HIS129 4.1 18.9 1.0 ND1 X:HIS129 4.1 20.0 1.0 CG X:HIS94 4.2 20.5 1.0 CG X:ASP92 4.4 27.4 1.0 OD1 X:ASP92 4.7 26.2 1.0

M.L.Barrett, R.L.Harris, S.V.Antonyuk, M.A.Hough, M.J.Ellis, G.Sawers, R.R.Eady, S.S.Hasnain. Insights Into Redox Partner Interactions and Substrate Binding in Nitrite Reductase From Alcaligenes Xylosoxidans: Crystal Structures of the TRP138HIS and HIS313GLN Mutants Biochemistry V. 43 16311 2004.
ISSN: ISSN 0006-2960
PubMed: 15610025
DOI: 10.1021/BI048682G