Atomistry » Iron » PDB 3na1-3nmj » 3nlh
Atomistry »
  Iron »
    PDB 3na1-3nmj »
      3nlh »

Iron in PDB 3nlh: Structure of Endothelial Nitric Oxide Synthase Heme Domain N368D Mutant Complexed with 6-{{(3'S,4'S)-3'-[2"-(3'''- Fluorophenethylamino)Ethoxy]Pyrrolidin-4'-Yl}Methyl}-4-Methylpyridin- 2-Amine

Enzymatic activity of Structure of Endothelial Nitric Oxide Synthase Heme Domain N368D Mutant Complexed with 6-{{(3'S,4'S)-3'-[2"-(3'''- Fluorophenethylamino)Ethoxy]Pyrrolidin-4'-Yl}Methyl}-4-Methylpyridin- 2-Amine

All present enzymatic activity of Structure of Endothelial Nitric Oxide Synthase Heme Domain N368D Mutant Complexed with 6-{{(3'S,4'S)-3'-[2"-(3'''- Fluorophenethylamino)Ethoxy]Pyrrolidin-4'-Yl}Methyl}-4-Methylpyridin- 2-Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Endothelial Nitric Oxide Synthase Heme Domain N368D Mutant Complexed with 6-{{(3'S,4'S)-3'-[2"-(3'''- Fluorophenethylamino)Ethoxy]Pyrrolidin-4'-Yl}Methyl}-4-Methylpyridin- 2-Amine, PDB code: 3nlh was solved by S.L.Delker, H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.36 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.817, 106.781, 156.930, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 21.1

Other elements in 3nlh:

The structure of Structure of Endothelial Nitric Oxide Synthase Heme Domain N368D Mutant Complexed with 6-{{(3'S,4'S)-3'-[2"-(3'''- Fluorophenethylamino)Ethoxy]Pyrrolidin-4'-Yl}Methyl}-4-Methylpyridin- 2-Amine also contains other interesting chemical elements:

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

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Endothelial Nitric Oxide Synthase Heme Domain N368D Mutant Complexed with 6-{{(3'S,4'S)-3'-[2"-(3'''- Fluorophenethylamino)Ethoxy]Pyrrolidin-4'-Yl}Methyl}-4-Methylpyridin- 2-Amine (pdb code 3nlh). 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 Endothelial Nitric Oxide Synthase Heme Domain N368D Mutant Complexed with 6-{{(3'S,4'S)-3'-[2"-(3'''- Fluorophenethylamino)Ethoxy]Pyrrolidin-4'-Yl}Methyl}-4-Methylpyridin- 2-Amine, PDB code: 3nlh:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 3nlh

Go back to Iron Binding Sites List in 3nlh
Iron binding site 1 out of 2 in the Structure of Endothelial Nitric Oxide Synthase Heme Domain N368D Mutant Complexed with 6-{{(3'S,4'S)-3'-[2"-(3'''- Fluorophenethylamino)Ethoxy]Pyrrolidin-4'-Yl}Methyl}-4-Methylpyridin- 2-Amine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Endothelial Nitric Oxide Synthase Heme Domain N368D Mutant Complexed with 6-{{(3'S,4'S)-3'-[2"-(3'''- Fluorophenethylamino)Ethoxy]Pyrrolidin-4'-Yl}Methyl}-4-Methylpyridin- 2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe500

b:19.2
occ:1.00
FE A:HEM500 0.0 19.2 1.0
NB A:HEM500 2.1 18.6 1.0
NA A:HEM500 2.1 18.6 1.0
NC A:HEM500 2.1 19.0 1.0
ND A:HEM500 2.1 18.8 1.0
SG A:CYS186 2.4 19.4 1.0
C1B A:HEM500 3.1 19.0 1.0
C4A A:HEM500 3.1 19.4 1.0
C4B A:HEM500 3.1 19.2 1.0
C4C A:HEM500 3.1 18.3 1.0
C1D A:HEM500 3.1 19.4 1.0
C1A A:HEM500 3.1 19.0 1.0
C1C A:HEM500 3.1 17.7 1.0
C4D A:HEM500 3.1 18.8 1.0
CB A:CYS186 3.3 18.5 1.0
CHB A:HEM500 3.4 19.6 1.0
CHD A:HEM500 3.4 18.7 1.0
CHC A:HEM500 3.5 17.1 1.0
CHA A:HEM500 3.5 19.8 1.0
C4A A:JSS800 4.1 19.4 1.0
CA A:CYS186 4.1 18.1 1.0
C5A A:JSS800 4.2 19.4 1.0
C2B A:HEM500 4.3 18.9 1.0
C3B A:HEM500 4.3 18.7 1.0
NE1 A:TRP180 4.3 16.8 1.0
C3C A:HEM500 4.3 18.6 1.0
C3A A:HEM500 4.3 19.8 1.0
C2A A:HEM500 4.3 20.2 1.0
C2C A:HEM500 4.3 18.3 1.0
C3D A:HEM500 4.3 21.7 1.0
C2D A:HEM500 4.3 19.1 1.0
C8A A:JSS800 4.4 18.0 1.0
C3A A:JSS800 4.4 19.0 1.0
C6A A:JSS800 4.6 20.7 1.0
N A:GLY188 4.8 17.7 1.0
C2A A:JSS800 4.8 18.9 1.0
C A:CYS186 4.9 17.9 1.0
CD1 A:TRP180 4.9 18.5 1.0
N1A A:JSS800 4.9 20.3 1.0

Iron binding site 2 out of 2 in 3nlh

Go back to Iron Binding Sites List in 3nlh
Iron binding site 2 out of 2 in the Structure of Endothelial Nitric Oxide Synthase Heme Domain N368D Mutant Complexed with 6-{{(3'S,4'S)-3'-[2"-(3'''- Fluorophenethylamino)Ethoxy]Pyrrolidin-4'-Yl}Methyl}-4-Methylpyridin- 2-Amine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Endothelial Nitric Oxide Synthase Heme Domain N368D Mutant Complexed with 6-{{(3'S,4'S)-3'-[2"-(3'''- Fluorophenethylamino)Ethoxy]Pyrrolidin-4'-Yl}Methyl}-4-Methylpyridin- 2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe500

b:19.7
occ:1.00
FE B:HEM500 0.0 19.7 1.0
NC B:HEM500 2.1 17.9 1.0
NA B:HEM500 2.1 19.7 1.0
NB B:HEM500 2.1 18.4 1.0
ND B:HEM500 2.1 20.0 1.0
SG B:CYS186 2.4 18.1 1.0
C1B B:HEM500 3.1 17.9 1.0
C4A B:HEM500 3.1 19.1 1.0
C4C B:HEM500 3.1 18.7 1.0
C1C B:HEM500 3.1 18.2 1.0
C4D B:HEM500 3.1 20.9 1.0
C4B B:HEM500 3.1 18.5 1.0
C1A B:HEM500 3.1 20.6 1.0
C1D B:HEM500 3.1 19.4 1.0
CB B:CYS186 3.4 18.2 1.0
CHB B:HEM500 3.4 19.0 1.0
CHD B:HEM500 3.5 19.6 1.0
CHC B:HEM500 3.5 18.4 1.0
CHA B:HEM500 3.5 21.2 1.0
C4A B:JSS800 4.1 20.9 1.0
CA B:CYS186 4.1 18.1 1.0
NE1 B:TRP180 4.2 18.7 1.0
C5A B:JSS800 4.3 17.4 1.0
C2B B:HEM500 4.3 18.4 1.0
C3B B:HEM500 4.3 17.5 1.0
C3A B:HEM500 4.3 19.6 1.0
C3C B:HEM500 4.3 17.9 1.0
C2C B:HEM500 4.3 17.7 1.0
C2A B:HEM500 4.3 20.5 1.0
C3D B:HEM500 4.3 21.6 1.0
C2D B:HEM500 4.3 19.7 1.0
C8A B:JSS800 4.4 19.8 1.0
C3A B:JSS800 4.4 20.5 1.0
C6A B:JSS800 4.7 18.5 1.0
C2A B:JSS800 4.8 20.2 1.0
N B:GLY188 4.8 18.6 1.0
C B:CYS186 4.8 18.1 1.0
CD1 B:TRP180 4.9 20.4 1.0
N1A B:JSS800 4.9 19.4 1.0
N B:VAL187 5.0 18.3 1.0

Reference:

H.Ji, S.L.Delker, H.Li, P.Martasek, L.J.Roman, T.L.Poulos, R.B.Silverman. Exploration of the Active Site of Neuronal Nitric Oxide Synthase By the Design and Synthesis of Pyrrolidinomethyl 2-Aminopyridine Derivatives. J.Med.Chem. V. 53 7804 2010.
ISSN: ISSN 0022-2623
PubMed: 20958055
DOI: 10.1021/JM100947X
Page generated: Sun Dec 13 15:14:15 2020

Last articles

Tb in 6TVY
Si in 6Y7O
Rh in 6WRM
Rh in 6WRL
Ni in 6Y8Z
Ni in 6Y8Y
Na in 6ZXZ
Na in 7ACG
Na in 6YLS
Na in 6Y8Z
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy