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Iron in PDB 1dmj: Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 5, 6-Cyclic-Tetrahydropteridine

Enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 5, 6-Cyclic-Tetrahydropteridine

All present enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 5, 6-Cyclic-Tetrahydropteridine:
1.14.13.39;

Protein crystallography data

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 5, 6-Cyclic-Tetrahydropteridine, PDB code: 1dmj was solved by P.Kotsonis, L.G.Frohlich, C.S.Raman, H.Li, M.Berg, R.Gerwig, V.Groehn, Y.Kang, N.Al-Masoudi, S.Taghavi-Moghadam, D.Mohr, U.Munch, J.Schnabel, P.Martasek, B.S.Masters, H.Strobel, T.Poulos, H.Matter, W.Pfleiderer, H.H.Schmidt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.38 / 2.35
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.900, 106.490, 156.550, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 22.8

Other elements in 1dmj:

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 5, 6-Cyclic-Tetrahydropteridine 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 5, 6-Cyclic-Tetrahydropteridine (pdb code 1dmj). 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 5, 6-Cyclic-Tetrahydropteridine, PDB code: 1dmj:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1dmj

Go back to Iron Binding Sites List in 1dmj
Iron binding site 1 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 5, 6-Cyclic-Tetrahydropteridine


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 5, 6-Cyclic-Tetrahydropteridine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1500

b:20.4
occ:1.00
FE A:HEM1500 0.0 20.4 1.0
ND A:HEM1500 2.0 18.5 1.0
NB A:HEM1500 2.0 17.8 1.0
NA A:HEM1500 2.0 20.0 1.0
NC A:HEM1500 2.0 19.3 1.0
SG A:CYS186 2.2 18.6 1.0
C4D A:HEM1500 3.0 20.5 1.0
C1D A:HEM1500 3.1 20.8 1.0
C1A A:HEM1500 3.1 19.3 1.0
C1B A:HEM1500 3.1 19.2 1.0
C4C A:HEM1500 3.1 18.5 1.0
C4B A:HEM1500 3.1 20.2 1.0
C1C A:HEM1500 3.1 17.9 1.0
C4A A:HEM1500 3.1 18.8 1.0
CB A:CYS186 3.3 19.7 1.0
CHA A:HEM1500 3.4 18.1 1.0
CHD A:HEM1500 3.4 20.6 1.0
CHB A:HEM1500 3.5 18.7 1.0
CHC A:HEM1500 3.5 19.7 1.0
C2 A:ITU1800 3.8 21.7 1.0
S A:ITU1800 4.0 23.9 1.0
CA A:CYS186 4.1 17.4 1.0
C2D A:HEM1500 4.3 20.4 1.0
C3D A:HEM1500 4.3 20.4 1.0
C2A A:HEM1500 4.3 18.0 1.0
C2B A:HEM1500 4.3 20.1 1.0
C3A A:HEM1500 4.3 17.8 1.0
C3C A:HEM1500 4.3 18.0 1.0
C2C A:HEM1500 4.3 17.1 1.0
C3B A:HEM1500 4.3 20.6 1.0
NE1 A:TRP180 4.4 17.9 1.0
C3 A:ITU1800 4.5 24.1 1.0
N1 A:ITU1800 4.6 23.6 1.0
N A:GLY188 4.8 18.6 1.0
C A:CYS186 4.8 18.8 1.0
N A:VAL187 4.9 16.8 1.0

Iron binding site 2 out of 2 in 1dmj

Go back to Iron Binding Sites List in 1dmj
Iron binding site 2 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 5, 6-Cyclic-Tetrahydropteridine


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 5, 6-Cyclic-Tetrahydropteridine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe2500

b:22.0
occ:1.00
FE B:HEM2500 0.0 22.0 1.0
ND B:HEM2500 2.0 22.4 1.0
NA B:HEM2500 2.0 22.4 1.0
NC B:HEM2500 2.0 21.0 1.0
NB B:HEM2500 2.0 19.5 1.0
SG B:CYS186 2.3 22.1 1.0
C4D B:HEM2500 3.0 22.1 1.0
C1D B:HEM2500 3.0 23.4 1.0
C1A B:HEM2500 3.1 21.6 1.0
C1B B:HEM2500 3.1 20.6 1.0
C4C B:HEM2500 3.1 21.7 1.0
C1C B:HEM2500 3.1 22.6 1.0
C4A B:HEM2500 3.1 21.5 1.0
C4B B:HEM2500 3.1 22.2 1.0
CB B:CYS186 3.4 21.6 1.0
CHA B:HEM2500 3.4 20.8 1.0
CHD B:HEM2500 3.4 24.7 1.0
CHC B:HEM2500 3.5 21.5 1.0
CHB B:HEM2500 3.5 21.5 1.0
S B:ITU2800 3.9 23.6 1.0
C2 B:ITU2800 4.0 18.7 1.0
CA B:CYS186 4.0 20.5 1.0
C3D B:HEM2500 4.2 23.6 1.0
C2D B:HEM2500 4.3 25.3 1.0
C2A B:HEM2500 4.3 23.0 1.0
NE1 B:TRP180 4.3 19.9 1.0
C2B B:HEM2500 4.3 21.6 1.0
C3A B:HEM2500 4.3 20.7 1.0
C2C B:HEM2500 4.3 23.5 1.0
C3C B:HEM2500 4.3 24.1 1.0
C3B B:HEM2500 4.4 22.2 1.0
C3 B:ITU2800 4.5 22.0 1.0
N1 B:ITU2800 4.6 21.7 1.0
C B:CYS186 4.8 18.9 1.0
N B:GLY188 4.8 21.0 1.0
O B:HOH2915 4.8 27.5 1.0
N B:VAL187 4.9 20.4 1.0
CD1 B:TRP180 5.0 20.3 1.0

Reference:

P.Kotsonis, L.G.Frohlich, C.S.Raman, H.Li, M.Berg, R.Gerwig, V.Groehn, Y.Kang, N.Al-Masoudi, S.Taghavi-Moghadam, D.Mohr, U.Munch, J.Schnabel, P.Martasek, B.S.Masters, H.Strobel, T.Poulos, H.Matter, W.Pfleiderer, H.H.Schmidt. Structural Basis For Pterin Antagonism in Nitric-Oxide Synthase. Development of Novel 4-Oxo-Pteridine Antagonists of (6R)-5,6,7,8-Tetrahydrobiopterin J.Biol.Chem. V. 276 49133 2001.
ISSN: ISSN 0021-9258
PubMed: 11590164
DOI: 10.1074/JBC.M011469200
Page generated: Sun Dec 13 14:10:45 2020

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