Copper in PDB 1wa2: Crystal Structure of H313Q Mutant of Alcaligenes Xylosoxidans Nitrite Reductase with Nitrite Bound

The structure of Crystal Structure of H313Q Mutant of Alcaligenes Xylosoxidans Nitrite Reductase with Nitrite Bound, PDB code: 1wa2 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)	37.53 / 1.72
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	89.641, 89.641, 143.569, 90.00, 90.00, 120.00
R / Rfree (%)	18 / 21

The structure of Crystal Structure of H313Q Mutant of Alcaligenes Xylosoxidans Nitrite Reductase with Nitrite Bound also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Copper atom in the Crystal Structure of H313Q Mutant of Alcaligenes Xylosoxidans Nitrite Reductase with Nitrite Bound (pdb code 1wa2). 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 with Nitrite Bound, PDB code: 1wa2:
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 with Nitrite Bound


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 with Nitrite Bound within 5.0Å range: probe atom residue distance (Å) B Occ X:Cu1337 b:20.4 occ:1.00 ND1 X:HIS139 2.1 19.1 1.0 ND1 X:HIS89 2.1 19.1 1.0 SG X:CYS130 2.1 22.8 1.0 SD X:MET144 2.6 21.6 1.0 CE1 X:HIS139 2.9 17.8 1.0 CE1 X:HIS89 3.0 22.1 1.0 CG X:HIS139 3.1 16.5 1.0 CG X:HIS89 3.1 24.0 1.0 CB X:CYS130 3.2 19.7 1.0 CB X:HIS139 3.5 15.0 1.0 CB X:HIS89 3.5 23.2 1.0 CE X:MET144 3.6 22.3 1.0 CA X:HIS89 3.9 23.8 1.0 CG X:PRO132 4.0 22.8 1.0 NE2 X:HIS139 4.1 20.0 1.0 CG X:MET144 4.1 17.2 1.0 CD2 X:HIS139 4.1 19.3 1.0 O X:PRO88 4.2 22.9 1.0 NE2 X:HIS89 4.2 22.7 1.0 CD2 X:HIS89 4.3 22.5 1.0 CD X:PRO132 4.4 22.1 1.0 SD X:MET56 4.4 22.5 1.0 CB X:MET144 4.6 15.7 1.0 CA X:CYS130 4.6 18.9 1.0 CA X:HIS139 4.7 14.4 1.0 N X:ASN90 4.7 23.3 1.0 N X:HIS89 4.9 24.2 1.0 C X:HIS89 4.9 23.8 1.0 C X:PRO88 4.9 24.6 1.0

Copper binding site 2 out of 2 in the Crystal Structure of H313Q Mutant of Alcaligenes Xylosoxidans Nitrite Reductase with Nitrite Bound


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 with Nitrite Bound within 5.0Å range: probe atom residue distance (Å) B Occ X:Cu1338 b:14.9 occ:1.00 O2 X:NO21341 1.9 22.6 0.5 NE2 X:HIS94 2.0 16.7 1.0 NE2 X:HIS129 2.0 13.9 1.0 N X:NO21341 2.4 24.1 0.5 O1 X:NO21341 2.4 25.0 0.5 CE1 X:HIS94 2.9 15.8 1.0 CD2 X:HIS129 3.0 12.1 1.0 CE1 X:HIS129 3.1 14.2 1.0 CD2 X:HIS94 3.1 16.3 1.0 OD2 X:ASP92 3.8 20.8 1.0 ND1 X:HIS94 4.0 15.7 1.0 CG X:HIS129 4.1 14.7 1.0 ND1 X:HIS129 4.2 14.2 1.0 CG X:HIS94 4.2 17.2 1.0 CG X:ASP92 4.4 20.5 1.0 OD1 X:ASP92 4.7 19.4 1.0 O X:HOH2114 4.9 20.7 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