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Zinc in PDB 1k2u: Structure of Rat Brain Nnos Heme Domain Complexed with S- Ethyl-N-[4-(Trifluoromethyl)Phenyl] Isothiourea

Enzymatic activity of Structure of Rat Brain Nnos Heme Domain Complexed with S- Ethyl-N-[4-(Trifluoromethyl)Phenyl] Isothiourea

All present enzymatic activity of Structure of Rat Brain Nnos Heme Domain Complexed with S- Ethyl-N-[4-(Trifluoromethyl)Phenyl] Isothiourea:
1.14.13.39;

Protein crystallography data

The structure of Structure of Rat Brain Nnos Heme Domain Complexed with S- Ethyl-N-[4-(Trifluoromethyl)Phenyl] Isothiourea, PDB code: 1k2u was solved by H.Li, P.Martasek, B.S.S.Masters, T.L.Poulos, C.S.Raman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.55 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.720, 110.660, 164.910, 90.00, 90.00, 90.00
R / Rfree (%) 22.7 / 26.1

Other elements in 1k2u:

The structure of Structure of Rat Brain Nnos Heme Domain Complexed with S- Ethyl-N-[4-(Trifluoromethyl)Phenyl] Isothiourea also contains other interesting chemical elements:

Fluorine (F) 6 atoms
Iron (Fe) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Rat Brain Nnos Heme Domain Complexed with S- Ethyl-N-[4-(Trifluoromethyl)Phenyl] Isothiourea (pdb code 1k2u). 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 Structure of Rat Brain Nnos Heme Domain Complexed with S- Ethyl-N-[4-(Trifluoromethyl)Phenyl] Isothiourea, PDB code: 1k2u:

Zinc binding site 1 out of 1 in 1k2u

Go back to Zinc Binding Sites List in 1k2u
Zinc binding site 1 out of 1 in the Structure of Rat Brain Nnos Heme Domain Complexed with S- Ethyl-N-[4-(Trifluoromethyl)Phenyl] Isothiourea


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Rat Brain Nnos Heme Domain Complexed with S- Ethyl-N-[4-(Trifluoromethyl)Phenyl] Isothiourea within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn900

b:39.3
occ:1.00
 SG B:CYS331 2.3 47.2 1.0
SG A:CYS326 2.3 50.9 1.0
SG A:CYS331 2.3 45.3 1.0
SG B:CYS326 2.3 47.8 1.0
CB B:CYS331 3.3 49.9 1.0
CB A:CYS331 3.4 45.2 1.0
CB A:CYS326 3.4 58.9 1.0
CB B:CYS326 3.6 52.9 1.0
CA A:CYS331 3.6 45.9 1.0
CA B:CYS331 3.6 49.8 1.0
N A:MET332 4.0 44.4 1.0
N A:GLY333 4.1 41.8 1.0
N B:MET332 4.1 47.5 1.0
C A:CYS331 4.2 44.1 1.0
C B:CYS331 4.3 47.0 1.0
N B:GLY333 4.3 47.6 1.0
CA A:GLY333 4.6 42.4 1.0
CA B:GLY333 4.7 45.9 1.0
CA A:CYS326 4.8 61.8 1.0
N B:CYS331 4.9 53.2 1.0
N A:CYS331 4.9 47.9 1.0
CA B:CYS326 5.0 55.3 1.0
O B:ILE330 5.0 55.3 1.0
O A:ILE330 5.0 47.8 1.0

Reference:

H.Li, P.Martasek, B.S.S.Masters, T.L.Poulos, C.S.Raman. Structure of Rat Brain Nnos Heme Domain To Be Published.
Page generated: Tue Aug 19 21:11:48 2025

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