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Iron in PDB 1dm8: Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 1, 2,4-Triazole-Carboxamidine (H4B Bound)

Enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 1, 2,4-Triazole-Carboxamidine (H4B Bound)

All present enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 1, 2,4-Triazole-Carboxamidine (H4B Bound):
1.14.13.39;

Protein crystallography data

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 1, 2,4-Triazole-Carboxamidine (H4B Bound), PDB code: 1dm8 was solved by C.S.Raman, H.Li, P.Martasek, G.J.Southan, 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) 36.65 / 2.25
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.530, 106.600, 157.080, 90.00, 90.00, 90.00
R / Rfree (%) 19.9 / 23.9

Other elements in 1dm8:

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 1, 2,4-Triazole-Carboxamidine (H4B Bound) 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 1, 2,4-Triazole-Carboxamidine (H4B Bound) (pdb code 1dm8). 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 1, 2,4-Triazole-Carboxamidine (H4B Bound), PDB code: 1dm8:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1dm8

Go back to Iron Binding Sites List in 1dm8
Iron binding site 1 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 1, 2,4-Triazole-Carboxamidine (H4B Bound)


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 1, 2,4-Triazole-Carboxamidine (H4B Bound) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1500

b:30.7
occ:1.00
FE A:HEM1500 0.0 30.7 1.0
ND A:HEM1500 2.0 30.0 1.0
NC A:HEM1500 2.0 30.3 1.0
NA A:HEM1500 2.0 26.4 1.0
NB A:HEM1500 2.0 28.3 1.0
SG A:CYS186 2.3 33.1 1.0
C1D A:HEM1500 3.0 29.5 1.0
C4D A:HEM1500 3.0 32.1 1.0
C1A A:HEM1500 3.0 28.5 1.0
C4C A:HEM1500 3.0 29.9 1.0
C4A A:HEM1500 3.1 26.5 1.0
C1C A:HEM1500 3.1 30.9 1.0
C1B A:HEM1500 3.1 25.9 1.0
C4B A:HEM1500 3.1 32.4 1.0
CB A:CYS186 3.3 31.6 1.0
CHD A:HEM1500 3.4 29.2 1.0
CHA A:HEM1500 3.4 27.1 1.0
CHC A:HEM1500 3.5 31.1 1.0
CHB A:HEM1500 3.5 24.7 1.0
CA A:CYS186 4.0 32.8 1.0
N1 A:TZC1790 4.1 32.9 1.0
C5 A:TZC1790 4.2 31.3 1.0
N2 A:TZC1790 4.2 33.5 1.0
C2A A:HEM1500 4.2 29.2 1.0
C3D A:HEM1500 4.3 33.8 1.0
C2D A:HEM1500 4.3 33.0 1.0
C3C A:HEM1500 4.3 30.9 1.0
C3A A:HEM1500 4.3 26.0 1.0
C2C A:HEM1500 4.3 30.3 1.0
C2B A:HEM1500 4.3 28.4 1.0
C3B A:HEM1500 4.4 31.1 1.0
N4 A:TZC1790 4.4 33.9 1.0
NE1 A:TRP180 4.4 26.3 1.0
C3 A:TZC1790 4.4 33.1 1.0
C6 A:TZC1790 4.6 33.3 1.0
C A:CYS186 4.8 35.1 1.0
N A:VAL187 4.9 31.6 1.0

Iron binding site 2 out of 2 in 1dm8

Go back to Iron Binding Sites List in 1dm8
Iron binding site 2 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 1, 2,4-Triazole-Carboxamidine (H4B Bound)


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 1, 2,4-Triazole-Carboxamidine (H4B Bound) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe2500

b:31.5
occ:1.00
FE B:HEM2500 0.0 31.5 1.0
ND B:HEM2500 2.0 31.1 1.0
NC B:HEM2500 2.0 31.8 1.0
NB B:HEM2500 2.0 28.3 1.0
NA B:HEM2500 2.0 27.6 1.0
SG B:CYS186 2.2 32.3 1.0
C1B B:HEM2500 3.0 28.7 1.0
C1D B:HEM2500 3.0 32.5 1.0
C4D B:HEM2500 3.0 33.7 1.0
C1C B:HEM2500 3.0 32.3 1.0
C4C B:HEM2500 3.0 32.7 1.0
C4B B:HEM2500 3.1 29.3 1.0
C1A B:HEM2500 3.1 30.6 1.0
C4A B:HEM2500 3.1 30.4 1.0
CHC B:HEM2500 3.4 31.8 1.0
CHD B:HEM2500 3.4 31.6 1.0
CHB B:HEM2500 3.4 30.4 1.0
CHA B:HEM2500 3.5 30.5 1.0
CB B:CYS186 3.6 30.7 1.0
C5 B:TZC2790 4.0 35.1 1.0
N1 B:TZC2790 4.0 34.8 1.0
CA B:CYS186 4.2 31.8 1.0
C2B B:HEM2500 4.2 27.5 1.0
C2D B:HEM2500 4.3 33.3 1.0
C3D B:HEM2500 4.3 33.3 1.0
C2C B:HEM2500 4.3 33.5 1.0
N4 B:TZC2790 4.3 36.0 1.0
C3C B:HEM2500 4.3 31.7 1.0
N2 B:TZC2790 4.3 36.9 1.0
C3B B:HEM2500 4.3 26.7 1.0
C2A B:HEM2500 4.3 31.1 1.0
C3A B:HEM2500 4.3 30.4 1.0
C3 B:TZC2790 4.4 36.7 1.0
NE1 B:TRP180 4.5 24.7 1.0
C6 B:TZC2790 4.5 30.8 1.0
C B:CYS186 5.0 32.1 1.0

Reference:

C.S.Raman, H.Li, P.Martasek, G.J.Southan, B.S.S.Masters, T.L.Poulos. Crystal Structures of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with Various Inhibitors To Be Published.
Page generated: Sun Dec 13 14:10:43 2020

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