Atomistry » Iron » PDB 4ud6-4uh0 » 4uge
Atomistry »
  Iron »
    PDB 4ud6-4uh0 »
      4uge »

Iron in PDB 4uge: Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 4-Methyl-6-((3-(Piperidin-4-Ylmethoxy)Phenoxy)Methyl)Pyridin-2-Amine

Enzymatic activity of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 4-Methyl-6-((3-(Piperidin-4-Ylmethoxy)Phenoxy)Methyl)Pyridin-2-Amine

All present enzymatic activity of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 4-Methyl-6-((3-(Piperidin-4-Ylmethoxy)Phenoxy)Methyl)Pyridin-2-Amine:
1.14.13.165;

Protein crystallography data

The structure of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 4-Methyl-6-((3-(Piperidin-4-Ylmethoxy)Phenoxy)Methyl)Pyridin-2-Amine, PDB code: 4uge was solved by J.K.Holden, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.22 / 2.14
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 80.560, 94.580, 62.900, 90.00, 90.00, 90.00
R / Rfree (%) 19.1 / 23.4

Other elements in 4uge:

The structure of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 4-Methyl-6-((3-(Piperidin-4-Ylmethoxy)Phenoxy)Methyl)Pyridin-2-Amine also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 4-Methyl-6-((3-(Piperidin-4-Ylmethoxy)Phenoxy)Methyl)Pyridin-2-Amine (pdb code 4uge). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 4-Methyl-6-((3-(Piperidin-4-Ylmethoxy)Phenoxy)Methyl)Pyridin-2-Amine, PDB code: 4uge:

Iron binding site 1 out of 1 in 4uge

Go back to Iron Binding Sites List in 4uge
Iron binding site 1 out of 1 in the Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 4-Methyl-6-((3-(Piperidin-4-Ylmethoxy)Phenoxy)Methyl)Pyridin-2-Amine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 4-Methyl-6-((3-(Piperidin-4-Ylmethoxy)Phenoxy)Methyl)Pyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe901

b:26.0
occ:1.00
 FE A:HEM901 0.0 26.0 1.0
ND A:HEM901 1.9 22.7 1.0
NA A:HEM901 2.0 23.9 1.0
NC A:HEM901 2.1 22.9 1.0
NB A:HEM901 2.1 20.2 1.0
SG A:CYS66 2.9 29.3 1.0
C1D A:HEM901 2.9 22.9 1.0
C4D A:HEM901 2.9 20.8 1.0
C1A A:HEM901 3.0 23.5 1.0
C4C A:HEM901 3.0 23.0 1.0
C4A A:HEM901 3.1 25.6 1.0
C4B A:HEM901 3.1 20.4 1.0
C1B A:HEM901 3.1 19.0 1.0
C1C A:HEM901 3.1 21.7 1.0
CHD A:HEM901 3.3 24.4 1.0
CB A:CYS66 3.3 20.7 1.0
CHA A:HEM901 3.4 21.1 1.0
CHC A:HEM901 3.5 19.3 1.0
CHB A:HEM901 3.5 20.0 1.0
C03 A:Q15904 3.9 44.1 1.0
C04 A:Q15904 4.0 46.6 1.0
C07 A:Q15904 4.1 45.7 1.0
CA A:CYS66 4.1 20.6 1.0
C2D A:HEM901 4.1 23.3 1.0
C3D A:HEM901 4.1 21.7 1.0
C2A A:HEM901 4.2 23.6 1.0
C3A A:HEM901 4.2 26.4 1.0
C3C A:HEM901 4.3 22.7 1.0
C2C A:HEM901 4.3 22.7 1.0
C2B A:HEM901 4.3 20.3 1.0
C3B A:HEM901 4.3 19.5 1.0
NE1 A:TRP60 4.4 22.4 1.0
C02 A:Q15904 4.5 44.5 1.0
C05 A:Q15904 4.6 54.7 1.0
C A:CYS66 4.9 22.5 1.0
N A:ILE67 5.0 20.8 1.0

Reference:

J.K.Holden, D.Dejam, M.C.Lewis, H.Huang, S.Kang, Q.Jing, F.Xue, R.B.Silverman, T.L.Poulos. Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry V. 54 4075 2015.
ISSN: ISSN 0006-2960
PubMed: 26062720
DOI: 10.1021/ACS.BIOCHEM.5B00431
Page generated: Mon Aug 5 12:40:39 2024

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy