Atomistry » Chlorine » PDB 2vvc-2w26 » 2vwz
Atomistry »
  Chlorine »
    PDB 2vvc-2w26 »
      2vwz »

Chlorine in PDB 2vwz: EPHB4 Kinase Domain Inhibitor Complex

Enzymatic activity of EPHB4 Kinase Domain Inhibitor Complex

All present enzymatic activity of EPHB4 Kinase Domain Inhibitor Complex:
2.7.10.1;

Protein crystallography data

The structure of EPHB4 Kinase Domain Inhibitor Complex, PDB code: 2vwz was solved by J.Read, C.A.Brassington, I.Green, E.J.Mccall, A.L.Valentine, D.Barratt, A.G.Leach, J.G.Kettle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 57.45 / 1.65
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 45.810, 53.567, 61.373, 90.00, 110.64, 90.00
R / Rfree (%) 16.8 / 20.5

Other elements in 2vwz:

The structure of EPHB4 Kinase Domain Inhibitor Complex also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the EPHB4 Kinase Domain Inhibitor Complex (pdb code 2vwz). 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 EPHB4 Kinase Domain Inhibitor Complex, PDB code: 2vwz:

Chlorine binding site 1 out of 1 in 2vwz

Go back to Chlorine Binding Sites List in 2vwz
Chlorine binding site 1 out of 1 in the EPHB4 Kinase Domain Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of EPHB4 Kinase Domain Inhibitor Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1889

b:21.6
occ:1.00
CL1 A:7X61889 0.0 21.6 1.0
C17 A:7X61889 1.8 20.8 1.0
C11 A:7X61889 2.7 14.8 1.0
C16 A:7X61889 2.8 16.2 1.0
N4 A:7X61889 3.0 16.0 1.0
O A:HOH2123 3.1 22.7 1.0
O A:HOH2197 3.5 26.6 1.0
O A:HOH2045 3.7 46.4 1.0
OG A:SER757 3.7 15.9 1.0
CD1 A:LEU747 3.8 20.8 1.0
C10 A:7X61889 3.9 14.4 1.0
CB A:SER757 4.0 15.7 1.0
C12 A:7X61889 4.0 16.7 1.0
C15 A:7X61889 4.1 16.3 1.0
C9 A:7X61889 4.4 15.2 1.0
CD2 A:LEU747 4.4 19.9 1.0
C14 A:7X61889 4.5 18.3 1.0
CG A:LEU747 4.5 16.1 1.0
O1 A:7X61889 4.6 25.2 0.8
N5 A:7X61889 4.7 15.7 1.0
O A:HOH2052 4.8 19.5 1.0
CE A:LYS647 4.8 22.1 1.0
NZ A:LYS647 4.9 20.3 1.0

Reference:

C.Bardelle, T.Coleman, D.Cross, S.Davenport, J.G.Kettle, E.J.Ko, A.G.Leach, A.Mortlock, J.Read, N.J.Roberts, P.Robins, E.J.Williams. Inhibitors of the Tyrosine Kinase EPHB4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines. Bioorg.Med.Chem.Lett. V. 18 5717 2008.
ISSN: ISSN 0960-894X
PubMed: 18851911
DOI: 10.1016/J.BMCL.2008.09.087
Page generated: Sat Jul 20 12:21:26 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy