Atomistry » Chlorine » PDB 3fee-3fpi » 3fkn
Atomistry »
  Chlorine »
    PDB 3fee-3fpi »
      3fkn »

Chlorine in PDB 3fkn: P38 Kinase Crystal Structure in Complex with RO7125

Enzymatic activity of P38 Kinase Crystal Structure in Complex with RO7125

All present enzymatic activity of P38 Kinase Crystal Structure in Complex with RO7125:
2.7.11.24;

Protein crystallography data

The structure of P38 Kinase Crystal Structure in Complex with RO7125, PDB code: 3fkn was solved by A.Kuglstatter, M.Ghate, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.86 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 45.461, 87.215, 124.869, 90.00, 90.00, 90.00
R / Rfree (%) 21.3 / 24.2

Other elements in 3fkn:

The structure of P38 Kinase Crystal Structure in Complex with RO7125 also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the P38 Kinase Crystal Structure in Complex with RO7125 (pdb code 3fkn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the P38 Kinase Crystal Structure in Complex with RO7125, PDB code: 3fkn:

Chlorine binding site 1 out of 1 in 3fkn

Go back to Chlorine Binding Sites List in 3fkn
Chlorine binding site 1 out of 1 in the P38 Kinase Crystal Structure in Complex with RO7125


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of P38 Kinase Crystal Structure in Complex with RO7125 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl361

b:28.4
occ:1.00
CL24 A:FKN361 0.0 28.4 1.0
C19 A:FKN361 1.8 28.6 1.0
C18 A:FKN361 2.7 27.5 1.0
C20 A:FKN361 2.8 28.7 1.0
C9 A:FKN361 3.1 27.6 1.0
C5 A:FKN361 3.4 27.2 1.0
C1 A:FKN361 3.5 27.4 1.0
CB A:ALA157 3.6 29.1 1.0
CD1 A:LEU167 3.7 34.6 1.0
OH A:TYR35 3.9 38.5 1.0
CZ A:TYR35 3.9 38.1 1.0
CE1 A:TYR35 4.0 38.2 1.0
C23 A:FKN361 4.0 28.5 1.0
N8 A:FKN361 4.0 26.6 1.0
C21 A:FKN361 4.1 28.4 1.0
O A:ALA111 4.2 34.2 1.0
C A:ALA111 4.4 34.0 1.0
CB A:ASP112 4.4 36.2 1.0
CB A:MET109 4.4 27.8 1.0
CE2 A:TYR35 4.5 38.0 1.0
CA A:ALA157 4.5 29.2 1.0
C6 A:FKN361 4.5 26.8 1.0
N A:ASP112 4.5 35.1 1.0
N2 A:FKN361 4.6 27.1 1.0
C22 A:FKN361 4.6 29.8 1.0
CD1 A:TYR35 4.7 37.9 1.0
CA A:ASP112 4.7 36.2 1.0
N7 A:FKN361 4.8 26.5 1.0
CG A:LEU167 5.0 33.0 1.0

Reference:

N.Arora, C.Williams, W.Delano, D.Will, A.Kuglstatter. Mapping Binding Pocket Volume: Potential Applications Towards Ligand Design and Selectivity To Be Published.
Page generated: Sat Dec 12 09:42:04 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy