Atomistry » Iron » PDB 3n5s-3na0 » 3n63
Atomistry »
  Iron »
    PDB 3n5s-3na0 »
      3n63 »

Iron in PDB 3n63: Structure of Neuronal Nitric Oxide Synthase D597N/M336V Mutant Heme Domain in Complex with 6,6'-(2,2'-(5-Amino-1,3-Phenylene)Bis(Ethane- 2,1-Diyl))Bis(4-Methylpyridin-2-Amine)

Enzymatic activity of Structure of Neuronal Nitric Oxide Synthase D597N/M336V Mutant Heme Domain in Complex with 6,6'-(2,2'-(5-Amino-1,3-Phenylene)Bis(Ethane- 2,1-Diyl))Bis(4-Methylpyridin-2-Amine)

All present enzymatic activity of Structure of Neuronal Nitric Oxide Synthase D597N/M336V Mutant Heme Domain in Complex with 6,6'-(2,2'-(5-Amino-1,3-Phenylene)Bis(Ethane- 2,1-Diyl))Bis(4-Methylpyridin-2-Amine):
1.14.13.39;

Protein crystallography data

The structure of Structure of Neuronal Nitric Oxide Synthase D597N/M336V Mutant Heme Domain in Complex with 6,6'-(2,2'-(5-Amino-1,3-Phenylene)Bis(Ethane- 2,1-Diyl))Bis(4-Methylpyridin-2-Amine), PDB code: 3n63 was solved by H.Li, S.L.Delker, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.06 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.802, 110.981, 163.996, 90.00, 90.00, 90.00
R / Rfree (%) 19.5 / 23.6

Other elements in 3n63:

The structure of Structure of Neuronal Nitric Oxide Synthase D597N/M336V Mutant Heme Domain in Complex with 6,6'-(2,2'-(5-Amino-1,3-Phenylene)Bis(Ethane- 2,1-Diyl))Bis(4-Methylpyridin-2-Amine) also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms
Zinc (Zn) 3 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Neuronal Nitric Oxide Synthase D597N/M336V Mutant Heme Domain in Complex with 6,6'-(2,2'-(5-Amino-1,3-Phenylene)Bis(Ethane- 2,1-Diyl))Bis(4-Methylpyridin-2-Amine) (pdb code 3n63). 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 D597N/M336V Mutant Heme Domain in Complex with 6,6'-(2,2'-(5-Amino-1,3-Phenylene)Bis(Ethane- 2,1-Diyl))Bis(4-Methylpyridin-2-Amine), PDB code: 3n63:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 3n63

Go back to Iron Binding Sites List in 3n63
Iron binding site 1 out of 2 in the Structure of Neuronal Nitric Oxide Synthase D597N/M336V Mutant Heme Domain in Complex with 6,6'-(2,2'-(5-Amino-1,3-Phenylene)Bis(Ethane- 2,1-Diyl))Bis(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 Neuronal Nitric Oxide Synthase D597N/M336V Mutant Heme Domain in Complex with 6,6'-(2,2'-(5-Amino-1,3-Phenylene)Bis(Ethane- 2,1-Diyl))Bis(4-Methylpyridin-2-Amine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe750

b:32.9
occ:1.00
 FE A:HEM750 0.0 32.9 1.0
ND A:HEM750 2.0 32.1 1.0
NC A:HEM750 2.1 31.2 1.0
NA A:HEM750 2.1 34.7 1.0
NB A:HEM750 2.1 34.1 1.0
SG A:CYS415 2.3 33.9 1.0
C1D A:HEM750 3.1 32.5 1.0
C4D A:HEM750 3.1 34.1 1.0
C4C A:HEM750 3.1 31.6 1.0
C4A A:HEM750 3.1 35.0 1.0
C1B A:HEM750 3.1 34.5 1.0
C1C A:HEM750 3.1 32.7 1.0
C1A A:HEM750 3.2 33.3 1.0
C4B A:HEM750 3.2 36.4 1.0
CB A:CYS415 3.3 31.0 1.0
CHD A:HEM750 3.4 33.3 1.0
CHB A:HEM750 3.4 33.4 1.0
CHA A:HEM750 3.5 33.1 1.0
CHC A:HEM750 3.5 34.4 1.0
C37 A:XFN800 3.9 40.1 1.0
C36 A:XFN800 4.1 42.3 1.0
CA A:CYS415 4.1 31.9 1.0
C38 A:XFN800 4.1 39.8 1.0
C42 A:XFN800 4.3 41.7 1.0
C3D A:HEM750 4.3 32.5 1.0
C2D A:HEM750 4.3 31.8 1.0
C3C A:HEM750 4.3 32.2 1.0
C2C A:HEM750 4.3 33.2 1.0
C2B A:HEM750 4.3 36.7 1.0
C3A A:HEM750 4.3 35.3 1.0
C3B A:HEM750 4.4 38.8 1.0
C2A A:HEM750 4.4 36.0 1.0
NE1 A:TRP409 4.5 32.8 1.0
C35 A:XFN800 4.5 44.3 1.0
C39 A:XFN800 4.5 39.0 1.0
N40 A:XFN800 4.7 41.9 1.0
C A:CYS415 4.9 32.4 1.0
N A:GLY417 5.0 33.8 1.0

Iron binding site 2 out of 2 in 3n63

Go back to Iron Binding Sites List in 3n63
Iron binding site 2 out of 2 in the Structure of Neuronal Nitric Oxide Synthase D597N/M336V Mutant Heme Domain in Complex with 6,6'-(2,2'-(5-Amino-1,3-Phenylene)Bis(Ethane- 2,1-Diyl))Bis(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 Neuronal Nitric Oxide Synthase D597N/M336V Mutant Heme Domain in Complex with 6,6'-(2,2'-(5-Amino-1,3-Phenylene)Bis(Ethane- 2,1-Diyl))Bis(4-Methylpyridin-2-Amine) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe750

b:33.4
occ:1.00
 FE B:HEM750 0.0 33.4 1.0
NB B:HEM750 2.0 35.0 1.0
NC B:HEM750 2.0 32.9 1.0
ND B:HEM750 2.1 32.8 1.0
NA B:HEM750 2.2 35.2 1.0
SG B:CYS415 2.4 29.4 1.0
C4C B:HEM750 3.0 33.1 1.0
C4B B:HEM750 3.0 36.6 1.0
C1B B:HEM750 3.1 36.7 1.0
C1C B:HEM750 3.1 32.7 1.0
C1D B:HEM750 3.1 32.5 1.0
C4D B:HEM750 3.1 34.2 1.0
C1A B:HEM750 3.2 34.8 1.0
C4A B:HEM750 3.2 34.9 1.0
CB B:CYS415 3.4 27.2 1.0
CHD B:HEM750 3.4 33.5 1.0
CHC B:HEM750 3.4 35.2 1.0
CHB B:HEM750 3.5 33.5 1.0
CHA B:HEM750 3.5 32.0 1.0
C37 B:XFN800 3.8 44.0 1.0
C36 B:XFN800 4.0 42.7 1.0
C38 B:XFN800 4.1 41.8 1.0
C42 B:XFN800 4.2 45.3 1.0
CA B:CYS415 4.2 28.0 1.0
C3B B:HEM750 4.3 37.5 1.0
C3C B:HEM750 4.3 31.7 1.0
C2B B:HEM750 4.3 37.4 1.0
C2C B:HEM750 4.3 33.0 1.0
C3D B:HEM750 4.3 35.6 1.0
C2D B:HEM750 4.3 32.0 1.0
C2A B:HEM750 4.4 37.0 1.0
C3A B:HEM750 4.4 36.9 1.0
C35 B:XFN800 4.4 44.0 1.0
NE1 B:TRP409 4.4 29.1 1.0
C39 B:XFN800 4.5 39.9 1.0
N40 B:XFN800 4.6 40.3 1.0
N B:GLY417 4.8 28.8 1.0
C B:CYS415 4.9 28.4 1.0

Reference:

S.L.Delker, F.Xue, H.Li, J.Jamal, R.B.Silverman, T.L.Poulos. Role of Zinc in Isoform-Selective Inhibitor Binding to Neuronal Nitric Oxide Synthase . Biochemistry V. 49 10803 2010.
ISSN: ISSN 0006-2960
PubMed: 21138269
DOI: 10.1021/BI1013479
Page generated: Sun Aug 4 16:16:06 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy