Zinc in PDB 1wa0: Crystal Structure of W138H Mutant of Alcaligenes Xylosoxidans Nitrite Reductase

The structure of Crystal Structure of W138H Mutant of Alcaligenes Xylosoxidans Nitrite Reductase, PDB code: 1wa0 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 / 1.60
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	89.792, 89.792, 143.462, 90.00, 90.00, 120.00
R / Rfree (%)	16.5 / 19.2

The structure of Crystal Structure of W138H Mutant of Alcaligenes Xylosoxidans Nitrite Reductase also contains other interesting chemical elements:

Copper

(Cu)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of W138H Mutant of Alcaligenes Xylosoxidans Nitrite Reductase (pdb code 1wa0). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of W138H Mutant of Alcaligenes Xylosoxidans Nitrite Reductase, PDB code: 1wa0:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of W138H Mutant of Alcaligenes Xylosoxidans Nitrite Reductase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of W138H Mutant of Alcaligenes Xylosoxidans Nitrite Reductase within 5.0Å range: probe atom residue distance (Å) B Occ X:Zn1339 b:19.1 occ:0.75 O X:HOH2403 1.8 22.2 1.0 NE2 X:HIS165 1.9 21.1 1.0 OD2 X:ASP167 2.0 21.8 1.0 OD1 X:ASP167 2.6 24.2 1.0 CG X:ASP167 2.6 22.4 1.0 CE1 X:HIS165 2.8 19.4 1.0 CD2 X:HIS165 3.0 20.6 1.0 OG1 X:THR234 3.9 20.8 1.0 O X:HOH2412 3.9 34.0 1.0 ND1 X:HIS165 4.0 19.4 1.0 CB X:ASP167 4.1 22.3 1.0 CG X:HIS165 4.1 19.4 1.0 CB X:THR234 4.3 19.7 1.0 N X:THR234 4.4 20.2 1.0 N X:ASP167 4.6 20.8 1.0 O X:GLY232 4.7 24.4 1.0 CA X:ASP167 4.8 22.3 1.0 C7 X:MES1343 5.0 35.9 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of W138H Mutant of Alcaligenes Xylosoxidans Nitrite Reductase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of W138H Mutant of Alcaligenes Xylosoxidans Nitrite Reductase within 5.0Å range: probe atom residue distance (Å) B Occ X:Zn1340 b:36.2 occ:0.25 O X:HOH2404 1.7 41.6 0.5 NE2 X:HIS8 2.4 35.6 1.0 O X:ASP4 3.0 48.3 1.0 CE1 X:HIS8 3.2 33.8 1.0 CD2 X:HIS8 3.3 35.2 1.0 C X:ASP4 3.7 47.8 1.0 CA X:ASP4 3.9 48.4 1.0 O X:ALA3 3.9 48.6 1.0 O X:LEU6 4.2 38.3 1.0 O X:HOH2140 4.3 33.4 1.0 ND1 X:HIS8 4.3 33.9 1.0 CG X:HIS8 4.4 35.4 1.0 C X:ALA3 4.8 49.1 1.0 N X:LYS5 4.8 46.7 1.0 N X:ASP4 4.8 48.6 1.0 O X:HOH2058 4.8 52.5 1.0 OD1 X:ASP4 4.9 49.0 1.0 CB X:ASP4 4.9 48.4 1.0 O X:HOH2141 4.9 37.1 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