Fluorine in PDB 5jvz: Crystal Structure of Flurbiprofen Bound to S121P Murine Cox-2 Mutant

Enzymatic activity of Crystal Structure of Flurbiprofen Bound to S121P Murine Cox-2 Mutant

All present enzymatic activity of Crystal Structure of Flurbiprofen Bound to S121P Murine Cox-2 Mutant:
1.14.99.1;

Protein crystallography data

The structure of Crystal Structure of Flurbiprofen Bound to S121P Murine Cox-2 Mutant, PDB code: 5jvz was solved by M.G.Malkowski, B.J.Orlando, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.62
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 119.923, 131.594, 179.981, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 22.9

Other elements in 5jvz:

The structure of Crystal Structure of Flurbiprofen Bound to S121P Murine Cox-2 Mutant also contains other interesting chemical elements:

Cobalt (Co) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Flurbiprofen Bound to S121P Murine Cox-2 Mutant (pdb code 5jvz). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Flurbiprofen Bound to S121P Murine Cox-2 Mutant, PDB code: 5jvz:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 5jvz

Go back to Fluorine Binding Sites List in 5jvz
Fluorine binding site 1 out of 2 in the Crystal Structure of Flurbiprofen Bound to S121P Murine Cox-2 Mutant


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Flurbiprofen Bound to S121P Murine Cox-2 Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:57.8
occ:1.00
F A:FLP601 0.0 57.8 1.0
C11 A:FLP601 1.3 40.1 1.0
C10 A:FLP601 2.3 31.1 1.0
C6 A:FLP601 2.4 30.4 1.0
C2 A:FLP601 2.8 28.0 1.0
C1 A:FLP601 2.8 29.1 1.0
CD1 A:LEU353 3.1 37.1 1.0
C9 A:FLP601 3.6 34.6 1.0
C7 A:FLP601 3.6 30.4 1.0
CG1 A:VAL524 3.7 32.6 1.0
CG2 A:VAL524 3.9 33.1 1.0
C3 A:FLP601 4.0 27.1 1.0
C A:FLP601 4.0 25.4 1.0
C8 A:FLP601 4.1 39.0 1.0
CB A:VAL524 4.1 32.8 1.0
CA A:VAL524 4.2 32.4 1.0
CG A:LEU353 4.6 36.2 1.0
CD2 A:PHE519 4.6 32.7 1.0
CE2 A:PHE519 4.8 32.4 1.0
O A:VAL524 4.8 31.8 1.0
CA A:SER354 4.8 32.2 1.0
O A:LEU353 4.8 40.7 1.0
C12 A:FLP601 4.9 40.9 1.0
C4 A:FLP601 4.9 25.1 1.0
C5 A:FLP601 4.9 26.7 1.0
N A:SER354 5.0 32.0 1.0

Fluorine binding site 2 out of 2 in 5jvz

Go back to Fluorine Binding Sites List in 5jvz
Fluorine binding site 2 out of 2 in the Crystal Structure of Flurbiprofen Bound to S121P Murine Cox-2 Mutant


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Flurbiprofen Bound to S121P Murine Cox-2 Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F601

b:45.1
occ:1.00
F B:FLP601 0.0 45.1 1.0
C11 B:FLP601 1.3 38.0 1.0
C10 B:FLP601 2.3 40.4 1.0
C6 B:FLP601 2.4 34.6 1.0
C2 B:FLP601 2.8 29.0 1.0
C1 B:FLP601 2.8 36.6 1.0
CB B:SER531 3.2 32.5 1.0
CA B:ALA528 3.4 32.0 1.0
C9 B:FLP601 3.6 41.6 1.0
C7 B:FLP601 3.6 43.1 1.0
OG B:SER531 3.7 43.4 1.0
O B:ALA528 3.9 31.4 1.0
CB B:ALA528 3.9 32.6 1.0
C3 B:FLP601 3.9 24.1 1.0
C B:FLP601 4.0 31.4 1.0
O B:GLY527 4.1 32.4 1.0
C8 B:FLP601 4.1 38.4 1.0
CG1 B:VAL350 4.1 31.5 1.0
C B:ALA528 4.1 31.7 1.0
N B:ALA528 4.1 32.0 1.0
CG2 B:VAL350 4.2 30.7 1.0
CG B:LEU532 4.4 31.3 1.0
C B:GLY527 4.4 31.6 1.0
CA B:SER531 4.6 30.0 1.0
N B:LEU532 4.6 30.3 1.0
CD2 B:LEU532 4.7 31.1 1.0
CB B:VAL350 4.8 31.1 1.0
C12 B:FLP601 4.8 44.8 1.0
C4 B:FLP601 4.9 31.6 1.0
C5 B:FLP601 4.9 33.7 1.0
C B:SER531 5.0 30.0 1.0
C13 B:FLP601 5.0 41.1 1.0

Reference:

L.Dong, C.Yuan, B.J.Orlando, M.G.Malkowski, W.L.Smith. Fatty Acid Binding to the Allosteric Subunit of Cyclooxygenase-2 Relieves A Tonic Inhibition of the Catalytic Subunit. J.Biol.Chem. V. 291 25641 2016.
ISSN: ESSN 1083-351X
PubMed: 27756840
DOI: 10.1074/JBC.M116.757310
Page generated: Sun Dec 13 12:25:53 2020

Last articles

Ca in 3OMN
Ca in 3OMA
Ca in 3OJY
Ca in 3OM3
Ca in 3OLI
Ca in 3OLG
Ca in 3OLD
Ca in 3OJT
Ca in 3OM2
Ca in 3OLE
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy