Atomistry » Zinc » PDB 3n3k-3n9o » 3n64
Atomistry »
  Zinc »
    PDB 3n3k-3n9o »
      3n64 »

Zinc in PDB 3n64: Structure of Neuronal Nitric Oxide Synthase D597N 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 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 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 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: 3n64 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) 39.08 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.762, 110.210, 164.163, 90.00, 90.00, 90.00
R / Rfree (%) 18.3 / 21.7

Other elements in 3n64:

The structure of Structure of Neuronal Nitric Oxide Synthase D597N 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:

Iron (Fe) 2 atoms
Chlorine (Cl) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Neuronal Nitric Oxide Synthase D597N 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 3n64). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Structure of Neuronal Nitric Oxide Synthase D597N 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: 3n64:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 3n64

Go back to Zinc Binding Sites List in 3n64
Zinc binding site 1 out of 3 in the Structure of Neuronal Nitric Oxide Synthase D597N 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 Zinc with other atoms in the Zn binding site number 1 of Structure of Neuronal Nitric Oxide Synthase D597N 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:Zn900

b:30.3
occ:1.00
 SG A:CYS326 2.4 34.1 1.0
SG A:CYS331 2.4 33.2 1.0
SG B:CYS331 2.4 33.3 1.0
SG B:CYS326 2.4 36.0 1.0
CB B:CYS331 3.2 35.4 1.0
CB A:CYS331 3.3 33.8 1.0
CB A:CYS326 3.3 39.0 1.0
CB B:CYS326 3.5 41.0 1.0
CA A:CYS331 3.6 35.3 1.0
CA B:CYS331 3.6 36.1 1.0
N A:MET332 4.0 34.5 1.0
N B:MET332 4.0 33.5 1.0
N A:GLY333 4.1 32.9 1.0
N B:GLY333 4.1 32.2 1.0
C A:CYS331 4.2 34.9 1.0
C B:CYS331 4.2 35.1 1.0
CA A:GLY333 4.5 32.0 1.0
CA B:GLY333 4.5 31.5 1.0
CA A:CYS326 4.7 40.4 1.0
CA B:CYS326 4.8 42.0 1.0
N B:CYS331 4.9 38.2 1.0
N A:CYS331 4.9 37.7 1.0
C A:MET332 4.9 33.1 1.0
C B:MET332 5.0 32.9 1.0

Zinc binding site 2 out of 3 in 3n64

Go back to Zinc Binding Sites List in 3n64
Zinc binding site 2 out of 3 in the Structure of Neuronal Nitric Oxide Synthase D597N 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 Zinc with other atoms in the Zn binding site number 2 of Structure of Neuronal Nitric Oxide Synthase D597N 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:Zn901

b:23.7
occ:0.70
 O B:HOH1336 1.9 16.4 1.0
OD1 A:ASP600 2.0 31.8 1.0
CL A:CL910 2.1 35.3 1.0
NE2 B:HIS692 2.1 31.1 1.0
CG A:ASP600 2.7 33.7 1.0
OD2 A:ASP600 2.7 34.5 1.0
CD2 B:HIS692 3.1 30.9 1.0
CE1 B:HIS692 3.1 30.2 1.0
O A:HOH1098 3.5 25.7 1.0
CG A:ARG596 3.7 31.9 1.0
OG B:SER686 3.8 27.9 1.0
O A:HOH1087 4.0 24.4 1.0
CB A:ASP600 4.1 34.1 1.0
ND1 B:HIS692 4.2 28.1 1.0
CG B:HIS692 4.2 29.5 1.0
CB A:ARG596 4.3 29.2 1.0
CE2 B:PHE691 4.3 26.0 1.0
CD A:ARG596 4.3 32.5 1.0
CA A:ARG596 4.4 30.1 1.0
CD2 B:PHE691 4.6 24.1 1.0
O A:HOH1007 4.8 18.5 1.0

Zinc binding site 3 out of 3 in 3n64

Go back to Zinc Binding Sites List in 3n64
Zinc binding site 3 out of 3 in the Structure of Neuronal Nitric Oxide Synthase D597N 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 Zinc with other atoms in the Zn binding site number 3 of Structure of Neuronal Nitric Oxide Synthase D597N 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:Zn719

b:24.5
occ:0.70
 OD1 B:ASP600 2.0 30.3 1.0
O A:HOH1121 2.1 15.0 1.0
NE2 A:HIS692 2.1 31.6 1.0
CL B:CL910 2.1 34.0 1.0
CG B:ASP600 2.7 30.2 1.0
OD2 B:ASP600 2.7 29.7 1.0
CE1 A:HIS692 3.1 28.8 1.0
CD2 A:HIS692 3.1 28.5 1.0
O B:HOH1314 3.7 21.8 1.0
CG B:ARG596 3.9 28.9 1.0
OG A:SER686 3.9 27.1 1.0
O B:HOH1215 3.9 22.2 1.0
CB B:ASP600 4.1 28.8 1.0
ND1 A:HIS692 4.2 28.9 1.0
CG A:HIS692 4.2 28.8 1.0
CB B:ARG596 4.3 26.7 1.0
CE2 A:PHE691 4.3 27.8 1.0
CD B:ARG596 4.4 28.7 1.0
CA B:ARG596 4.5 27.3 1.0
CD2 A:PHE691 4.6 25.1 1.0
O B:HOH1263 4.9 19.6 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: Sat Oct 26 10:03:54 2024

Last articles

F in 5USZ
F in 5UT1
F in 5URJ
F in 5USQ
F in 5UQN
F in 5UQM
F in 5UQL
F in 5UQA
F in 5UQK
F in 5UPG
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy