Zinc in PDB 4mxk: X-Ray Structure of Fe(II)-ZNPIXFEBMB1

The structure of X-Ray Structure of Fe(II)-ZNPIXFEBMB1, PDB code: 4mxk was solved by S.Chakraborty, Y.Lu, I.Petrik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.34 / 1.52
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.750, 47.593, 76.008, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 22

The structure of X-Ray Structure of Fe(II)-ZNPIXFEBMB1 also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Zinc atom in the X-Ray Structure of Fe(II)-ZNPIXFEBMB1 (pdb code 4mxk). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the X-Ray Structure of Fe(II)-ZNPIXFEBMB1, PDB code: 4mxk:

Zinc binding site 1 out of 1 in the X-Ray Structure of Fe(II)-ZNPIXFEBMB1


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of X-Ray Structure of Fe(II)-ZNPIXFEBMB1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:8.5 occ:0.90 ZN A:ZNH201 0.0 8.5 0.9 NA A:ZNH201 2.1 9.6 1.0 ND A:ZNH201 2.1 10.6 1.0 NC A:ZNH201 2.1 9.8 1.0 NB A:ZNH201 2.1 9.1 1.0 NE2 A:HIS93 2.2 9.6 1.0 C4A A:ZNH201 3.1 8.6 1.0 C4B A:ZNH201 3.1 8.6 1.0 C4D A:ZNH201 3.1 11.0 1.0 C1C A:ZNH201 3.1 8.6 1.0 C1A A:ZNH201 3.1 10.1 1.0 CE1 A:HIS93 3.1 8.5 1.0 C4C A:ZNH201 3.1 9.6 1.0 C1D A:ZNH201 3.1 11.4 1.0 C1B A:ZNH201 3.1 8.8 1.0 CD2 A:HIS93 3.2 8.6 1.0 CHC A:ZNH201 3.4 8.9 1.0 CHD A:ZNH201 3.5 10.1 1.0 CHB A:ZNH201 3.5 8.1 1.0 CHA A:ZNH201 3.5 10.7 1.0 OE1 A:GLU68 3.7 11.0 1.0 ND1 A:HIS93 4.3 10.6 1.0 C3A A:ZNH201 4.3 8.1 1.0 C2A A:ZNH201 4.3 9.9 1.0 CG A:HIS93 4.3 9.8 1.0 CD A:GLU68 4.3 12.1 1.0 C2D A:ZNH201 4.4 11.8 1.0 C3D A:ZNH201 4.4 12.7 1.0 C2B A:ZNH201 4.4 7.9 1.0 C3C A:ZNH201 4.4 9.8 1.0 C3B A:ZNH201 4.4 7.9 1.0 C2C A:ZNH201 4.4 8.9 1.0 CE1 A:HIS64 4.5 10.9 1.0 FE A:FE2202 4.7 8.4 0.8 CG A:GLU68 4.7 11.4 1.0 CD2 A:HIS97 4.9 16.1 1.0 O A:HOH301 5.0 13.9 1.0

S.Chakraborty, J.Reed, M.Ross, M.J.Nilges, I.D.Petrik, S.Ghosh, S.Hammes-Schiffer, J.T.Sage, Y.Zhang, C.E.Schulz, Y.Lu. Spectroscopic and Computational Study of A Nonheme Iron Nitrosyl Center in A Biosynthetic Model of Nitric Oxide Reductase. Angew.Chem.Int.Ed.Engl. V. 53 2417 2014.
ISSN: ISSN 1433-7851
PubMed: 24481708
DOI: 10.1002/ANIE.201308431