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Iron in PDB 4ugv: Structure of Y357F Bacillus Subtilis Nitric Oxide Synthase in Complex with Arginine and 5,6,7,8-Tetrahydrobiopterin

Enzymatic activity of Structure of Y357F Bacillus Subtilis Nitric Oxide Synthase in Complex with Arginine and 5,6,7,8-Tetrahydrobiopterin

All present enzymatic activity of Structure of Y357F Bacillus Subtilis Nitric Oxide Synthase in Complex with Arginine and 5,6,7,8-Tetrahydrobiopterin:
1.14.13.165;

Protein crystallography data

The structure of Structure of Y357F Bacillus Subtilis Nitric Oxide Synthase in Complex with Arginine and 5,6,7,8-Tetrahydrobiopterin, PDB code: 4ugv 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) 37.54 / 1.99
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 80.650, 94.420, 61.920, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 22.7

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Y357F Bacillus Subtilis Nitric Oxide Synthase in Complex with Arginine and 5,6,7,8-Tetrahydrobiopterin (pdb code 4ugv). 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 Y357F Bacillus Subtilis Nitric Oxide Synthase in Complex with Arginine and 5,6,7,8-Tetrahydrobiopterin, PDB code: 4ugv:

Iron binding site 1 out of 1 in 4ugv

Go back to Iron Binding Sites List in 4ugv
Iron binding site 1 out of 1 in the Structure of Y357F Bacillus Subtilis Nitric Oxide Synthase in Complex with Arginine and 5,6,7,8-Tetrahydrobiopterin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Y357F Bacillus Subtilis Nitric Oxide Synthase in Complex with Arginine and 5,6,7,8-Tetrahydrobiopterin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe901

b:14.4
occ:1.00
 FE A:HEM901 0.0 14.4 1.0
ND A:HEM901 1.9 13.1 1.0
NA A:HEM901 2.0 11.4 1.0
NC A:HEM901 2.1 12.8 1.0
NB A:HEM901 2.1 12.2 1.0
SG A:CYS66 2.7 13.5 1.0
C1D A:HEM901 2.9 13.6 1.0
C4D A:HEM901 2.9 12.3 1.0
C1A A:HEM901 3.0 13.2 1.0
C4C A:HEM901 3.0 13.2 1.0
C4A A:HEM901 3.1 10.9 1.0
C4B A:HEM901 3.1 13.3 1.0
C1B A:HEM901 3.1 11.5 1.0
C1C A:HEM901 3.1 13.1 1.0
CHD A:HEM901 3.3 12.5 1.0
CHA A:HEM901 3.4 12.8 1.0
CB A:CYS66 3.4 9.6 1.0
CHC A:HEM901 3.5 13.0 1.0
CHB A:HEM901 3.5 11.0 1.0
NH1 A:ARG904 3.9 15.4 1.0
CA A:CYS66 4.1 9.7 1.0
C2D A:HEM901 4.1 13.9 1.0
C3D A:HEM901 4.2 13.0 1.0
C2A A:HEM901 4.2 12.5 1.0
C3A A:HEM901 4.2 12.6 1.0
C3C A:HEM901 4.3 13.2 1.0
C2C A:HEM901 4.3 13.1 1.0
C2B A:HEM901 4.3 12.1 1.0
CZ A:ARG904 4.4 15.2 1.0
C3B A:HEM901 4.4 13.2 1.0
NE1 A:TRP60 4.4 14.3 1.0
NH2 A:ARG904 4.8 13.4 1.0
NE A:ARG904 4.9 14.6 1.0
C A:CYS66 5.0 10.7 1.0
N A:GLY68 5.0 13.7 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 12:46:45 2024

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