Iron in PDB 4ugu: Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with N'-(4-(((2S,4R)-4-(3-((C-Thiophen-2-Ylcarbonimidoyl)Amino)Phenoxy) Pyrrolidin-2-Yl)Methoxy)Phenyl)Thiophene-2-Carboximidamide

Enzymatic activity of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with N'-(4-(((2S,4R)-4-(3-((C-Thiophen-2-Ylcarbonimidoyl)Amino)Phenoxy) Pyrrolidin-2-Yl)Methoxy)Phenyl)Thiophene-2-Carboximidamide

All present enzymatic activity of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with N'-(4-(((2S,4R)-4-(3-((C-Thiophen-2-Ylcarbonimidoyl)Amino)Phenoxy) Pyrrolidin-2-Yl)Methoxy)Phenyl)Thiophene-2-Carboximidamide:
1.14.13.165;

Protein crystallography data

The structure of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with N'-(4-(((2S,4R)-4-(3-((C-Thiophen-2-Ylcarbonimidoyl)Amino)Phenoxy) Pyrrolidin-2-Yl)Methoxy)Phenyl)Thiophene-2-Carboximidamide, PDB code: 4ugu 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) 40.89 / 1.80
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 80.297, 95.013, 63.083, 90.00, 90.00, 90.00
R / Rfree (%) 15.6 / 18.8

Other elements in 4ugu:

The structure of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with N'-(4-(((2S,4R)-4-(3-((C-Thiophen-2-Ylcarbonimidoyl)Amino)Phenoxy) Pyrrolidin-2-Yl)Methoxy)Phenyl)Thiophene-2-Carboximidamide 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 N'-(4-(((2S,4R)-4-(3-((C-Thiophen-2-Ylcarbonimidoyl)Amino)Phenoxy) Pyrrolidin-2-Yl)Methoxy)Phenyl)Thiophene-2-Carboximidamide (pdb code 4ugu). 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 N'-(4-(((2S,4R)-4-(3-((C-Thiophen-2-Ylcarbonimidoyl)Amino)Phenoxy) Pyrrolidin-2-Yl)Methoxy)Phenyl)Thiophene-2-Carboximidamide, PDB code: 4ugu:

Iron binding site 1 out of 1 in 4ugu

Go back to Iron Binding Sites List in 4ugu
Iron binding site 1 out of 1 in the Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with N'-(4-(((2S,4R)-4-(3-((C-Thiophen-2-Ylcarbonimidoyl)Amino)Phenoxy) Pyrrolidin-2-Yl)Methoxy)Phenyl)Thiophene-2-Carboximidamide


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 N'-(4-(((2S,4R)-4-(3-((C-Thiophen-2-Ylcarbonimidoyl)Amino)Phenoxy) Pyrrolidin-2-Yl)Methoxy)Phenyl)Thiophene-2-Carboximidamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe901

b:16.3
occ:1.00
FE A:HEM901 0.0 16.3 1.0
ND A:HEM901 1.9 16.0 1.0
NA A:HEM901 2.0 14.4 1.0
NB A:HEM901 2.1 14.9 1.0
NC A:HEM901 2.1 13.8 1.0
SG A:CYS66 2.4 15.7 1.0
C1D A:HEM901 2.9 15.7 1.0
C4D A:HEM901 3.0 16.0 1.0
C4A A:HEM901 3.0 16.0 1.0
C1A A:HEM901 3.0 18.1 1.0
C4C A:HEM901 3.1 14.8 1.0
C4B A:HEM901 3.1 14.5 1.0
C1B A:HEM901 3.1 13.9 1.0
C1C A:HEM901 3.1 15.7 1.0
CB A:CYS66 3.4 14.0 1.0
CHD A:HEM901 3.4 18.8 1.0
CHB A:HEM901 3.4 14.3 1.0
CHA A:HEM901 3.5 18.4 1.0
CHC A:HEM901 3.5 14.6 1.0
S01 A:PQW904 3.7 29.0 1.0
CA A:CYS66 4.2 15.0 1.0
C2D A:HEM901 4.2 18.2 1.0
C3A A:HEM901 4.2 16.4 1.0
C3D A:HEM901 4.2 15.0 1.0
C2A A:HEM901 4.3 17.2 1.0
C2C A:HEM901 4.3 15.6 1.0
C3C A:HEM901 4.3 14.8 1.0
C2B A:HEM901 4.3 14.3 1.0
C3B A:HEM901 4.3 17.7 1.0
NE1 A:TRP60 4.4 18.2 1.0
C16 A:PQW904 4.5 18.5 1.0
C02 A:PQW904 4.6 18.6 1.0
C05 A:PQW904 4.7 21.8 1.0
N A:GLY68 4.8 16.4 1.0
C A:CYS66 4.9 18.0 1.0
C06 A:PQW904 4.9 19.9 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: Sun Dec 13 15:49:08 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy