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Iron in PDB 1dmi: Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 6S-H4B

Enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 6S-H4B

All present enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 6S-H4B:
1.14.13.39;

Protein crystallography data

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 6S-H4B, PDB code: 1dmi was solved by C.S.Raman, H.Li, P.Martasek, P.Kotsonis, W.Pfleiderer, H.H.H.W.Schmidt, B.S.S.Masters, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.59 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.630, 106.560, 156.790, 90.00, 90.00, 90.00
R / Rfree (%) 22.9 / 26.4

Other elements in 1dmi:

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 6S-H4B also contains other interesting chemical elements:

Arsenic (As) 2 atoms
Zinc (Zn) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 6S-H4B (pdb code 1dmi). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 6S-H4B, PDB code: 1dmi:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1dmi

Go back to Iron Binding Sites List in 1dmi
Iron binding site 1 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 6S-H4B


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 6S-H4B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1500

b:30.0
occ:1.00
FE A:HEM1500 0.0 30.0 1.0
NC A:HEM1500 2.0 33.3 1.0
NA A:HEM1500 2.0 35.3 1.0
NB A:HEM1500 2.0 32.6 1.0
ND A:HEM1500 2.0 34.0 1.0
SG A:CYS186 2.3 34.5 1.0
C1D A:HEM1500 3.0 34.5 1.0
C4C A:HEM1500 3.0 33.9 1.0
C1B A:HEM1500 3.1 33.8 1.0
C4D A:HEM1500 3.1 35.6 1.0
C1A A:HEM1500 3.1 36.2 1.0
C1C A:HEM1500 3.1 33.7 1.0
C4A A:HEM1500 3.1 34.9 1.0
C4B A:HEM1500 3.1 33.4 1.0
CB A:CYS186 3.3 33.1 1.0
CHD A:HEM1500 3.4 34.3 1.0
CHB A:HEM1500 3.4 34.5 1.0
CHA A:HEM1500 3.5 34.8 1.0
CHC A:HEM1500 3.5 33.1 1.0
C2 A:ITU1800 3.9 40.5 1.0
S A:ITU1800 4.0 40.1 1.0
CA A:CYS186 4.0 34.3 1.0
C3D A:HEM1500 4.3 35.5 1.0
C2D A:HEM1500 4.3 35.9 1.0
C3C A:HEM1500 4.3 33.2 1.0
C2C A:HEM1500 4.3 33.1 1.0
C2A A:HEM1500 4.3 37.5 1.0
C3A A:HEM1500 4.3 36.9 1.0
C2B A:HEM1500 4.3 32.7 1.0
C3B A:HEM1500 4.4 33.0 1.0
NE1 A:TRP180 4.4 32.8 1.0
C3 A:ITU1800 4.4 39.2 1.0
N1 A:ITU1800 4.6 37.6 1.0
O A:HOH1970 4.6 50.7 1.0
C A:CYS186 4.8 34.5 1.0
N A:GLY188 4.8 35.1 1.0
N A:VAL187 4.9 34.7 1.0
CD1 A:TRP180 5.0 31.2 1.0

Iron binding site 2 out of 2 in 1dmi

Go back to Iron Binding Sites List in 1dmi
Iron binding site 2 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 6S-H4B


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 6S-H4B within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe2500

b:35.7
occ:1.00
FE B:HEM2500 0.0 35.7 1.0
ND B:HEM2500 2.0 36.3 1.0
NC B:HEM2500 2.0 35.0 1.0
NB B:HEM2500 2.0 34.2 1.0
NA B:HEM2500 2.0 35.8 1.0
SG B:CYS186 2.3 36.4 1.0
C1D B:HEM2500 3.0 35.6 1.0
C4C B:HEM2500 3.0 34.8 1.0
C4D B:HEM2500 3.1 36.7 1.0
C1C B:HEM2500 3.1 34.8 1.0
C1B B:HEM2500 3.1 35.8 1.0
C4B B:HEM2500 3.1 35.6 1.0
C1A B:HEM2500 3.1 36.1 1.0
C4A B:HEM2500 3.1 35.0 1.0
CB B:CYS186 3.4 36.3 1.0
CHD B:HEM2500 3.4 35.4 1.0
CHC B:HEM2500 3.5 34.0 1.0
CHA B:HEM2500 3.5 36.3 1.0
CHB B:HEM2500 3.5 34.7 1.0
C2 B:ITU2800 3.8 44.5 1.0
S B:ITU2800 4.0 47.6 1.0
CA B:CYS186 4.1 36.4 1.0
C2D B:HEM2500 4.3 35.9 1.0
C3D B:HEM2500 4.3 37.2 1.0
C2C B:HEM2500 4.3 35.4 1.0
C3C B:HEM2500 4.3 34.5 1.0
C2B B:HEM2500 4.3 35.4 1.0
C3B B:HEM2500 4.3 35.0 1.0
C3A B:HEM2500 4.3 35.3 1.0
C2A B:HEM2500 4.3 36.5 1.0
NE1 B:TRP180 4.3 34.4 1.0
N1 B:ITU2800 4.5 45.9 1.0
C3 B:ITU2800 4.5 46.6 1.0
C B:CYS186 4.8 35.8 1.0
N B:VAL187 4.9 35.8 1.0
N B:GLY188 4.9 37.6 1.0

Reference:

C.S.Raman, H.Li, P.Martasek, P.Kotsonis, W.Pfleiderer, H.H.H.W.Schmidt, G.J.Southan, B.S.S.Masters, T.L.Poulos. Crystal Structures of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with the Pterin Analogues To Be Published.
Page generated: Sun Dec 13 14:10:44 2020

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