Atomistry » Iron » PDB 3jbt-3k9y » 3jt4
Atomistry »
  Iron »
    PDB 3jbt-3k9y »
      3jt4 »

Iron in PDB 3jt4: Structure of Neuronal Nitric Oxide Synthase Heme Domain Complexed with N~5~-[(3-(Ethylsulfanyl)Propanimidoyl]-L-Ornithine

Enzymatic activity of Structure of Neuronal Nitric Oxide Synthase Heme Domain Complexed with N~5~-[(3-(Ethylsulfanyl)Propanimidoyl]-L-Ornithine

All present enzymatic activity of Structure of Neuronal Nitric Oxide Synthase Heme Domain Complexed with N~5~-[(3-(Ethylsulfanyl)Propanimidoyl]-L-Ornithine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Neuronal Nitric Oxide Synthase Heme Domain Complexed with N~5~-[(3-(Ethylsulfanyl)Propanimidoyl]-L-Ornithine, PDB code: 3jt4 was solved by H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.72 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.026, 111.185, 164.301, 90.00, 90.00, 90.00
R / Rfree (%) 19.9 / 23.1

Other elements in 3jt4:

The structure of Structure of Neuronal Nitric Oxide Synthase Heme Domain Complexed with N~5~-[(3-(Ethylsulfanyl)Propanimidoyl]-L-Ornithine also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Neuronal Nitric Oxide Synthase Heme Domain Complexed with N~5~-[(3-(Ethylsulfanyl)Propanimidoyl]-L-Ornithine (pdb code 3jt4). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Neuronal Nitric Oxide Synthase Heme Domain Complexed with N~5~-[(3-(Ethylsulfanyl)Propanimidoyl]-L-Ornithine, PDB code: 3jt4:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 3jt4

Go back to Iron Binding Sites List in 3jt4
Iron binding site 1 out of 2 in the Structure of Neuronal Nitric Oxide Synthase Heme Domain Complexed with N~5~-[(3-(Ethylsulfanyl)Propanimidoyl]-L-Ornithine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Neuronal Nitric Oxide Synthase Heme Domain Complexed with N~5~-[(3-(Ethylsulfanyl)Propanimidoyl]-L-Ornithine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe750

b:21.6
occ:1.00
 FE A:HEM750 0.0 21.6 1.0
ND A:HEM750 2.0 21.9 1.0
NB A:HEM750 2.0 22.8 1.0
NA A:HEM750 2.1 22.2 1.0
NC A:HEM750 2.1 19.3 1.0
SG A:CYS415 2.3 21.2 1.0
S4 A:JM8800 2.6 25.4 1.0
C1D A:HEM750 3.0 19.7 1.0
C4A A:HEM750 3.1 20.6 1.0
C1A A:HEM750 3.1 19.9 1.0
C4D A:HEM750 3.1 22.2 1.0
C1C A:HEM750 3.1 21.4 1.0
C4B A:HEM750 3.1 22.9 1.0
C1B A:HEM750 3.1 23.9 1.0
C4C A:HEM750 3.1 21.0 1.0
CB A:CYS415 3.4 18.6 1.0
CHD A:HEM750 3.4 22.7 1.0
CHB A:HEM750 3.4 19.7 1.0
CHC A:HEM750 3.4 21.9 1.0
CHA A:HEM750 3.4 21.5 1.0
C5 A:JM8800 3.6 27.1 1.0
C3 A:JM8800 3.6 26.3 1.0
CA A:CYS415 4.2 18.9 1.0
C2D A:HEM750 4.3 22.3 1.0
C2A A:HEM750 4.3 20.8 1.0
C3D A:HEM750 4.3 21.6 1.0
C3A A:HEM750 4.3 19.5 1.0
C3B A:HEM750 4.3 23.2 1.0
C2B A:HEM750 4.3 22.6 1.0
C2C A:HEM750 4.3 20.5 1.0
C3C A:HEM750 4.3 20.8 1.0
NE1 A:TRP409 4.5 21.1 1.0
N A:GLY417 4.9 20.1 1.0
C2 A:JM8800 4.9 23.0 1.0
C A:CYS415 4.9 19.7 1.0
C6 A:JM8800 4.9 26.3 1.0

Iron binding site 2 out of 2 in 3jt4

Go back to Iron Binding Sites List in 3jt4
Iron binding site 2 out of 2 in the Structure of Neuronal Nitric Oxide Synthase Heme Domain Complexed with N~5~-[(3-(Ethylsulfanyl)Propanimidoyl]-L-Ornithine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Neuronal Nitric Oxide Synthase Heme Domain Complexed with N~5~-[(3-(Ethylsulfanyl)Propanimidoyl]-L-Ornithine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe750

b:19.3
occ:1.00
 FE B:HEM750 0.0 19.3 1.0
NB B:HEM750 2.0 18.5 1.0
ND B:HEM750 2.0 19.3 1.0
NC B:HEM750 2.1 18.9 1.0
NA B:HEM750 2.1 18.4 1.0
SG B:CYS415 2.4 18.3 1.0
S4 B:JM8800 2.5 24.6 1.0
C4D B:HEM750 3.0 18.7 1.0
C4B B:HEM750 3.0 18.4 1.0
C1B B:HEM750 3.0 20.2 1.0
C1C B:HEM750 3.1 17.6 1.0
C1D B:HEM750 3.1 19.7 1.0
C1A B:HEM750 3.1 19.5 1.0
C4C B:HEM750 3.1 18.3 1.0
C4A B:HEM750 3.1 19.1 1.0
CHC B:HEM750 3.4 19.3 1.0
CHA B:HEM750 3.4 18.8 1.0
CB B:CYS415 3.4 16.3 1.0
CHD B:HEM750 3.4 22.1 1.0
CHB B:HEM750 3.5 18.6 1.0
C3 B:JM8800 3.5 24.7 1.0
C5 B:JM8800 3.6 25.9 1.0
CA B:CYS415 4.2 17.4 1.0
C2B B:HEM750 4.3 20.6 1.0
C3D B:HEM750 4.3 17.6 1.0
C3C B:HEM750 4.3 16.7 1.0
C2C B:HEM750 4.3 16.9 1.0
C3B B:HEM750 4.3 21.2 1.0
C2D B:HEM750 4.3 20.2 1.0
C2A B:HEM750 4.3 19.0 1.0
C3A B:HEM750 4.3 18.6 1.0
NE1 B:TRP409 4.5 16.4 1.0
C2 B:JM8800 4.8 26.1 1.0
N B:GLY417 4.8 18.2 1.0
C B:CYS415 4.9 17.2 1.0
C6 B:JM8800 5.0 25.7 1.0
N B:VAL416 5.0 18.2 1.0

Reference:

J.D.Martell, H.Li, T.Doukov, P.Martasek, L.J.Roman, M.Soltis, T.L.Poulos, R.B.Silverman. Heme-Coordinating Inhibitors of Neuronal Nitric Oxide Synthase. Iron-Thioether Coordination Is Stabilized By Hydrophobic Contacts Without Increased Inhibitor Potency. J.Am.Chem.Soc. V. 132 798 2010.
ISSN: ISSN 0002-7863
PubMed: 20014790
DOI: 10.1021/JA908544F
Page generated: Sun Aug 4 13:35:10 2024

Last articles

F in 6EOL
F in 6EQ4
F in 6EPR
F in 6EIS
F in 6EOG
F in 6EL7
F in 6ELO
F in 6EL9
F in 6EEE
F in 6EL6
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy