Atomistry » Fluorine » PDB 1o5g-1q6m » 1ouy
Atomistry »
  Fluorine »
    PDB 1o5g-1q6m »
      1ouy »

Fluorine in PDB 1ouy: The Structure of P38 Alpha in Complex with A Dihydropyrido-Pyrimidine Inhibitor

Enzymatic activity of The Structure of P38 Alpha in Complex with A Dihydropyrido-Pyrimidine Inhibitor

All present enzymatic activity of The Structure of P38 Alpha in Complex with A Dihydropyrido-Pyrimidine Inhibitor:
2.7.1.37;

Protein crystallography data

The structure of The Structure of P38 Alpha in Complex with A Dihydropyrido-Pyrimidine Inhibitor, PDB code: 1ouy was solved by C.E.Fitzgerald, S.B.Patel, J.W.Becker, P.M.Cameron, D.Zaller, V.B.Pikounis, S.J.O'keefe, G.Scapin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 45.630, 86.764, 126.398, 90.00, 90.00, 90.00
R / Rfree (%) 22.1 / 25.6

Other elements in 1ouy:

The structure of The Structure of P38 Alpha in Complex with A Dihydropyrido-Pyrimidine Inhibitor also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the The Structure of P38 Alpha in Complex with A Dihydropyrido-Pyrimidine Inhibitor (pdb code 1ouy). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the The Structure of P38 Alpha in Complex with A Dihydropyrido-Pyrimidine Inhibitor, PDB code: 1ouy:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 1ouy

Go back to Fluorine Binding Sites List in 1ouy
Fluorine binding site 1 out of 2 in the The Structure of P38 Alpha in Complex with A Dihydropyrido-Pyrimidine Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Structure of P38 Alpha in Complex with A Dihydropyrido-Pyrimidine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:37.3
occ:1.00
F1 A:094501 0.0 37.3 1.0
C1 A:094501 1.3 38.3 1.0
C2 A:094501 2.4 39.1 1.0
C24 A:094501 2.4 37.2 1.0
CB A:LEU104 3.2 25.8 1.0
N A:VAL105 3.3 26.7 1.0
C A:LEU104 3.4 28.6 1.0
C A:VAL105 3.4 29.9 1.0
CD1 A:LEU86 3.6 25.1 1.0
CB A:THR106 3.6 30.5 1.0
C23 A:094501 3.6 39.5 1.0
N A:THR106 3.6 29.8 1.0
C3 A:094501 3.6 40.3 1.0
O A:VAL105 3.6 30.3 1.0
O A:LEU104 3.7 28.9 1.0
CA A:VAL105 3.8 28.8 1.0
CG2 A:THR106 3.9 24.3 1.0
CA A:LEU104 3.9 27.2 1.0
C4 A:094501 4.1 41.5 1.0
CA A:THR106 4.2 30.9 1.0
CG A:LEU104 4.5 24.9 1.0
CD1 A:LEU75 4.6 30.6 1.0
O A:ALA51 4.7 34.0 1.0
CD1 A:ILE84 4.7 39.9 1.0
CD1 A:LEU104 4.7 24.4 1.0
F2 A:094501 4.7 40.3 1.0
OG1 A:THR106 4.8 26.1 1.0
CD2 A:LEU104 5.0 24.9 1.0

Fluorine binding site 2 out of 2 in 1ouy

Go back to Fluorine Binding Sites List in 1ouy
Fluorine binding site 2 out of 2 in the The Structure of P38 Alpha in Complex with A Dihydropyrido-Pyrimidine Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of The Structure of P38 Alpha in Complex with A Dihydropyrido-Pyrimidine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:40.3
occ:1.00
F2 A:094501 0.0 40.3 1.0
C23 A:094501 1.3 39.5 1.0
C24 A:094501 2.4 37.2 1.0
C4 A:094501 2.4 41.5 1.0
S1 A:094501 3.1 42.9 1.0
N3 A:094501 3.2 44.7 1.0
C5 A:094501 3.2 44.9 1.0
CG1 A:VAL38 3.5 42.1 1.0
CB A:LYS53 3.6 36.1 1.0
C1 A:094501 3.6 38.3 1.0
C3 A:094501 3.7 40.3 1.0
CB A:ALA51 3.7 32.0 1.0
O A:ALA51 3.7 34.0 1.0
C A:ALA51 3.8 33.0 1.0
N A:LYS53 3.9 32.9 1.0
C A:VAL52 3.9 32.7 1.0
C11 A:094501 4.0 43.9 1.0
CG2 A:VAL38 4.1 42.9 1.0
N A:VAL52 4.1 31.9 1.0
C2 A:094501 4.2 39.1 1.0
O A:VAL52 4.2 35.1 1.0
CA A:LYS53 4.2 32.9 1.0
C6 A:094501 4.2 48.1 1.0
CA A:ALA51 4.4 32.4 1.0
CA A:VAL52 4.4 31.3 1.0
CB A:VAL38 4.4 43.7 1.0
CG2 A:THR106 4.5 24.3 1.0
C10 A:094501 4.7 43.3 1.0
CG A:LYS53 4.7 38.8 1.0
F1 A:094501 4.7 37.3 1.0
O A:LEU104 4.8 28.9 1.0
CD A:LYS53 4.8 41.4 1.0
C8 A:094501 4.9 43.9 1.0
C7 A:094501 5.0 46.1 1.0

Reference:

C.E.Fitzgerald, S.B.Patel, J.W.Becker, P.M.Cameron, D.Zaller, V.B.Pikounis, S.J.O'keefe, G.Scapin. Structural Basis For P38ALPHA Map Kinase Quinazolinone and Pyridol-Pyrimidine Inhibitor Specificity Nat.Struct.Biol. V. 10 764 2003.
ISSN: ISSN 1072-8368
PubMed: 12897767
DOI: 10.1038/NSB949
Page generated: Wed Jul 31 12:17:00 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy