Zinc in PDB 4d1n: Structure of Human Nnos Heme Domain with L-Arg Bound

The structure of Structure of Human Nnos Heme Domain with L-Arg Bound, PDB code: 4d1n was solved by H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.60 / 2.03
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	174.923, 84.664, 166.745, 90.00, 90.94, 90.00
R / Rfree (%)	17.695 / 20.863

The structure of Structure of Human Nnos Heme Domain with L-Arg Bound also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Zinc atom in the Structure of Human Nnos Heme Domain with L-Arg Bound (pdb code 4d1n). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of Human Nnos Heme Domain with L-Arg Bound, PDB code: 4d1n:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of Human Nnos Heme Domain with L-Arg Bound


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Human Nnos Heme Domain with L-Arg Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn900 b:28.2 occ:1.00 SG B:CYS336 2.3 29.8 1.0 SG B:CYS331 2.3 27.2 1.0 SG A:CYS331 2.4 27.6 1.0 SG A:CYS336 2.4 30.6 1.0 CB B:CYS336 3.2 28.7 1.0 CB A:CYS336 3.4 27.1 1.0 CB A:CYS331 3.4 26.6 1.0 CB B:CYS331 3.5 28.6 1.0 CA B:CYS336 3.6 29.6 1.0 CA A:CYS336 3.7 27.3 1.0 N A:MET337 3.9 28.0 1.0 N B:MET337 4.0 31.4 1.0 N B:GLY338 4.2 30.6 1.0 N A:GLY338 4.2 28.4 1.0 C B:CYS336 4.2 31.1 1.0 C A:CYS336 4.3 28.4 1.0 CA A:GLY338 4.6 28.6 1.0 CA B:GLY338 4.6 28.9 1.0 CA B:CYS331 4.8 31.1 1.0 CA A:CYS331 4.8 28.3 1.0 N B:CYS336 4.8 28.7 1.0 O B:ILE335 4.9 29.6 1.0 N A:CYS336 4.9 26.8 1.0 C A:MET337 4.9 28.9 1.0 C B:MET337 5.0 29.9 1.0

Zinc binding site 2 out of 2 in the Structure of Human Nnos Heme Domain with L-Arg Bound


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Human Nnos Heme Domain with L-Arg Bound within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn900 b:27.9 occ:1.00 SG D:CYS336 2.2 30.1 1.0 SG D:CYS331 2.4 27.6 1.0 SG C:CYS336 2.4 28.2 1.0 SG C:CYS331 2.4 25.9 1.0 CB D:CYS336 3.3 27.9 1.0 CB C:CYS336 3.3 26.9 1.0 CB C:CYS331 3.4 25.2 1.0 CB D:CYS331 3.5 28.3 1.0 CA D:CYS336 3.6 28.6 1.0 CA C:CYS336 3.6 27.2 1.0 N D:MET337 3.9 30.4 1.0 N C:MET337 3.9 28.4 1.0 N C:GLY338 4.1 29.3 1.0 N D:GLY338 4.1 29.8 1.0 C D:CYS336 4.2 28.5 1.0 C C:CYS336 4.3 28.2 1.0 CA D:GLY338 4.6 27.7 1.0 CA C:GLY338 4.6 26.8 1.0 CA D:CYS331 4.8 30.5 1.0 CA C:CYS331 4.8 26.4 1.0 N D:CYS336 4.8 27.4 1.0 O D:HOH2015 4.8 43.5 1.0 O D:ILE335 4.9 31.3 1.0 N C:CYS336 4.9 28.1 1.0 C C:MET337 4.9 28.7 1.0 C D:MET337 5.0 29.3 1.0

H.Li, J.Jamal, C.Plaza, S.H.Pineda, G.Chreifi, Q.Jing, M.A.Cinelli, R.B.Silverman, T.L.Poulos. Structures of Human Constitutive Nitric Oxide Synthases Acta Crystallogr.,Sect.D V. 70 2667 2014.
ISSN: ISSN 0907-4449
PubMed: 25286850
DOI: 10.1107/S1399004714017064