Atomistry » Iron » PDB 3n5s-3na0 » 3n8y
Atomistry »
  Iron »
    PDB 3n5s-3na0 »
      3n8y »

Iron in PDB 3n8y: Structure of Aspirin Acetylated Cyclooxygenase-1 in Complex with Diclofenac

Enzymatic activity of Structure of Aspirin Acetylated Cyclooxygenase-1 in Complex with Diclofenac

All present enzymatic activity of Structure of Aspirin Acetylated Cyclooxygenase-1 in Complex with Diclofenac:
1.14.99.1;

Protein crystallography data

The structure of Structure of Aspirin Acetylated Cyclooxygenase-1 in Complex with Diclofenac, PDB code: 3n8y was solved by R.S.Sidhu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.84 / 2.60
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 182.327, 182.327, 103.106, 90.00, 90.00, 120.00
R / Rfree (%) 18.4 / 20

Other elements in 3n8y:

The structure of Structure of Aspirin Acetylated Cyclooxygenase-1 in Complex with Diclofenac also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Aspirin Acetylated Cyclooxygenase-1 in Complex with Diclofenac (pdb code 3n8y). 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 Aspirin Acetylated Cyclooxygenase-1 in Complex with Diclofenac, PDB code: 3n8y:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 3n8y

Go back to Iron Binding Sites List in 3n8y
Iron binding site 1 out of 2 in the Structure of Aspirin Acetylated Cyclooxygenase-1 in Complex with Diclofenac


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Aspirin Acetylated Cyclooxygenase-1 in Complex with Diclofenac within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe601

b:45.0
occ:1.00
FE A:HEM601 0.0 45.0 1.0
NE2 A:HIS388 1.9 44.6 1.0
NC A:HEM601 2.0 43.9 1.0
NB A:HEM601 2.1 46.2 1.0
NA A:HEM601 2.1 46.4 1.0
ND A:HEM601 2.1 43.8 1.0
O A:HOH22 2.1 40.6 1.0
CE1 A:HIS388 2.7 44.0 1.0
CD2 A:HIS388 3.0 45.0 1.0
C4C A:HEM601 3.1 42.9 1.0
C1C A:HEM601 3.1 44.2 1.0
C1D A:HEM601 3.1 42.6 1.0
C1B A:HEM601 3.1 47.4 1.0
C4D A:HEM601 3.1 44.0 1.0
C4B A:HEM601 3.1 46.1 1.0
C4A A:HEM601 3.1 47.7 1.0
C1A A:HEM601 3.1 46.5 1.0
CHD A:HEM601 3.4 42.3 1.0
CHC A:HEM601 3.4 45.2 1.0
CHA A:HEM601 3.5 45.3 1.0
CHB A:HEM601 3.5 48.1 1.0
ND1 A:HIS388 3.8 44.2 1.0
CG A:HIS388 3.9 44.9 1.0
NE2 A:GLN203 4.1 43.9 1.0
C2D A:HEM601 4.3 42.0 1.0
C3D A:HEM601 4.3 42.9 1.0
C3C A:HEM601 4.3 42.7 1.0
C2C A:HEM601 4.3 43.5 1.0
C2B A:HEM601 4.3 48.1 1.0
C3B A:HEM601 4.3 47.2 1.0
C3A A:HEM601 4.3 48.6 1.0
C2A A:HEM601 4.3 47.8 1.0
CE1 A:HIS207 4.6 41.5 1.0
NE2 A:HIS207 4.6 42.6 1.0
CD A:GLN203 4.6 42.9 1.0
CG A:GLN203 4.8 41.6 1.0
CG1 A:VAL447 4.9 46.1 1.0

Iron binding site 2 out of 2 in 3n8y

Go back to Iron Binding Sites List in 3n8y
Iron binding site 2 out of 2 in the Structure of Aspirin Acetylated Cyclooxygenase-1 in Complex with Diclofenac


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Aspirin Acetylated Cyclooxygenase-1 in Complex with Diclofenac within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe601

b:45.6
occ:1.00
FE B:HEM601 0.0 45.6 1.0
NE2 B:HIS388 1.9 46.2 1.0
NC B:HEM601 2.1 45.0 1.0
NA B:HEM601 2.1 47.0 1.0
ND B:HEM601 2.1 44.4 1.0
NB B:HEM601 2.1 47.2 1.0
CE1 B:HIS388 2.8 45.6 1.0
CD2 B:HIS388 2.8 46.8 1.0
C4C B:HEM601 3.1 43.9 1.0
C1B B:HEM601 3.1 48.2 1.0
C4A B:HEM601 3.1 48.2 1.0
C1A B:HEM601 3.1 46.8 1.0
C1C B:HEM601 3.1 45.4 1.0
C4B B:HEM601 3.1 47.3 1.0
C4D B:HEM601 3.1 44.3 1.0
C1D B:HEM601 3.1 43.3 1.0
CHB B:HEM601 3.4 48.8 1.0
CHD B:HEM601 3.4 43.2 1.0
CHA B:HEM601 3.4 45.6 1.0
CHC B:HEM601 3.5 46.6 1.0
ND1 B:HIS388 3.8 45.9 1.0
CG B:HIS388 3.9 46.6 1.0
NE2 B:GLN203 4.2 44.4 1.0
C2B B:HEM601 4.3 48.8 1.0
C3B B:HEM601 4.3 48.3 1.0
C3A B:HEM601 4.3 49.0 1.0
C2A B:HEM601 4.3 48.1 1.0
C3C B:HEM601 4.3 44.0 1.0
C2C B:HEM601 4.3 44.8 1.0
C3D B:HEM601 4.3 43.3 1.0
C2D B:HEM601 4.3 42.7 1.0
CE1 B:HIS207 4.7 42.4 1.0
NE2 B:HIS207 4.7 43.1 1.0
CD B:GLN203 4.8 43.7 1.0
CG1 B:VAL447 4.8 46.8 1.0

Reference:

R.S.Sidhu, J.Y.Lee, C.Yuan, W.L.Smith. Comparison of Cyclooxygenase-1 Crystal Structures: Cross-Talk Between Monomers Comprising Cyclooxygenase-1 Homodimers Biochemistry V. 49 7069 2010.
ISSN: ISSN 0006-2960
PubMed: 20669977
DOI: 10.1021/BI1003298
Page generated: Sun Aug 4 16:19:34 2024

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy