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Cobalt in PDB 3krk: X-Ray Crystal Structure of Arachidonic Acid Bound in the Cyclooxygenase Channel of L531F Murine Cox-2

Enzymatic activity of X-Ray Crystal Structure of Arachidonic Acid Bound in the Cyclooxygenase Channel of L531F Murine Cox-2

All present enzymatic activity of X-Ray Crystal Structure of Arachidonic Acid Bound in the Cyclooxygenase Channel of L531F Murine Cox-2:
1.14.99.1;

Protein crystallography data

The structure of X-Ray Crystal Structure of Arachidonic Acid Bound in the Cyclooxygenase Channel of L531F Murine Cox-2, PDB code: 3krk was solved by A.J.Vecchio, D.M.Simmons, M.G.Malkowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.92 / 2.40
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 120.790, 133.040, 180.654, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 22.8

Cobalt Binding Sites:

The binding sites of Cobalt atom in the X-Ray Crystal Structure of Arachidonic Acid Bound in the Cyclooxygenase Channel of L531F Murine Cox-2 (pdb code 3krk). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the X-Ray Crystal Structure of Arachidonic Acid Bound in the Cyclooxygenase Channel of L531F Murine Cox-2, PDB code: 3krk:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in 3krk

Go back to Cobalt Binding Sites List in 3krk
Cobalt binding site 1 out of 2 in the X-Ray Crystal Structure of Arachidonic Acid Bound in the Cyclooxygenase Channel of L531F Murine Cox-2


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of X-Ray Crystal Structure of Arachidonic Acid Bound in the Cyclooxygenase Channel of L531F Murine Cox-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co625

b:86.2
occ:0.90
CO A:COH625 0.0 86.2 0.9
ND A:COH625 2.0 86.5 0.9
NB A:COH625 2.0 86.5 0.9
NC A:COH625 2.0 86.1 0.9
NA A:COH625 2.0 86.6 0.9
C4D A:COH625 3.0 86.6 0.9
C4C A:COH625 3.0 85.8 0.9
C1B A:COH625 3.0 86.6 0.9
C1C A:COH625 3.0 86.0 0.9
C4B A:COH625 3.0 86.5 0.9
C1D A:COH625 3.0 86.3 0.9
C1A A:COH625 3.1 86.9 0.9
C4A A:COH625 3.1 86.7 0.9
NE2 A:HIS388 3.2 30.5 0.5
CHC A:COH625 3.4 86.5 0.9
CHD A:COH625 3.5 86.1 0.9
CHA A:COH625 3.5 86.8 0.9
CHB A:COH625 3.5 86.7 0.9
CE1 A:HIS388 3.6 29.9 0.5
NE2 A:GLN203 4.0 25.9 1.0
NE2 A:HIS207 4.2 27.9 1.0
C3C A:COH625 4.2 85.3 0.9
CD2 A:HIS388 4.2 30.1 0.5
CE1 A:HIS207 4.3 28.3 1.0
C3B A:COH625 4.3 86.5 0.9
C2C A:COH625 4.3 85.5 0.9
C3D A:COH625 4.3 86.5 0.9
C2B A:COH625 4.3 86.5 0.9
C2D A:COH625 4.3 86.3 0.9
C2A A:COH625 4.4 86.9 0.9
C3A A:COH625 4.4 86.9 0.9
ND1 A:HIS388 4.7 29.5 0.5
CD A:GLN203 4.8 24.3 1.0
CD2 A:HIS388 4.9 28.0 0.5
O A:HOH897 4.9 38.3 1.0
CG A:GLN203 5.0 21.1 1.0

Cobalt binding site 2 out of 2 in 3krk

Go back to Cobalt Binding Sites List in 3krk
Cobalt binding site 2 out of 2 in the X-Ray Crystal Structure of Arachidonic Acid Bound in the Cyclooxygenase Channel of L531F Murine Cox-2


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of X-Ray Crystal Structure of Arachidonic Acid Bound in the Cyclooxygenase Channel of L531F Murine Cox-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co626

b:79.4
occ:0.90
CO B:COH626 0.0 79.4 0.9
ND B:COH626 2.0 79.6 0.9
NB B:COH626 2.0 79.7 0.9
NC B:COH626 2.0 79.3 0.9
NA B:COH626 2.0 79.8 0.9
NE2 B:HIS388 2.9 33.1 0.5
C4D B:COH626 3.0 79.4 0.9
C4B B:COH626 3.0 79.4 0.9
C1B B:COH626 3.0 79.6 0.9
C1C B:COH626 3.0 79.0 0.9
C4C B:COH626 3.0 79.0 0.9
C1D B:COH626 3.1 79.3 0.9
C1A B:COH626 3.1 79.8 0.9
C4A B:COH626 3.1 79.9 0.9
CHC B:COH626 3.4 79.4 0.9
CHA B:COH626 3.5 79.5 0.9
CHB B:COH626 3.5 80.0 0.9
CHD B:COH626 3.5 79.1 0.9
CE1 B:HIS388 3.6 32.5 0.5
CD2 B:HIS388 3.9 33.1 0.5
C3B B:COH626 4.2 79.4 0.9
CE1 B:HIS207 4.2 32.2 1.0
C3C B:COH626 4.2 78.5 0.9
C3D B:COH626 4.3 79.5 0.9
C2B B:COH626 4.3 79.3 0.9
C2C B:COH626 4.3 78.6 0.9
C2D B:COH626 4.3 79.3 0.9
NE2 B:GLN203 4.3 29.0 1.0
NE2 B:HIS207 4.4 31.5 1.0
C3A B:COH626 4.4 79.9 0.9
C2A B:COH626 4.4 80.1 0.9
ND1 B:HIS388 4.7 32.4 0.5
CD2 B:HIS388 4.7 31.9 0.5
CG B:HIS388 4.9 32.4 0.5
CG B:GLN203 4.9 25.7 1.0
CD B:GLN203 4.9 27.9 1.0
NE2 B:HIS388 5.0 31.8 0.5

Reference:

A.J.Vecchio, D.M.Simmons, M.G.Malkowski. Structural Basis of Fatty Acid Substrate Binding to Cyclooxygenase-2. J.Biol.Chem. V. 285 22152 2010.
ISSN: ISSN 0021-9258
PubMed: 20463020
DOI: 10.1074/JBC.M110.119867
Page generated: Sun Dec 13 10:41:19 2020

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