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Chlorine in PDB 5i9x: Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Bosutinib (Ski-606)

Enzymatic activity of Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Bosutinib (Ski-606)

All present enzymatic activity of Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Bosutinib (Ski-606):
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Bosutinib (Ski-606), PDB code: 5i9x was solved by D.Kudlinzki, V.L.Linhard, S.L.Gande, S.Sreeramulu, K.Saxena, S.Heinzlmeir, G.Medard, B.Kuester, H.Schwalbe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.40 / 1.43
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 32.803, 107.695, 40.604, 90.00, 108.95, 90.00
R / Rfree (%) 16.5 / 18.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Bosutinib (Ski-606) (pdb code 5i9x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Bosutinib (Ski-606), PDB code: 5i9x:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5i9x

Go back to Chlorine Binding Sites List in 5i9x
Chlorine binding site 1 out of 2 in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Bosutinib (Ski-606)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Bosutinib (Ski-606) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1001

b:16.5
occ:1.00
CL1 A:DB81001 0.0 16.5 1.0
CAY A:DB81001 1.8 13.3 1.0
CAX A:DB81001 2.7 11.9 1.0
CAI A:DB81001 2.7 14.8 1.0
O02 A:DB81001 2.8 13.2 1.0
CD A:GLU663 3.4 24.2 1.0
OE1 A:GLU663 3.5 26.9 1.0
OE2 A:GLU663 3.7 30.3 1.0
CG2 A:ILE690 3.7 12.4 1.0
CD1 A:ILE690 3.7 16.9 1.0
CG A:GLU663 3.8 20.2 1.0
CD A:LYS646 3.9 29.2 1.0
CAZ A:DB81001 4.0 10.8 1.0
CAJ A:DB81001 4.0 11.5 1.0
CB A:ILE690 4.1 12.8 1.0
C01 A:DB81001 4.2 14.6 1.0
SD A:MET667 4.3 28.4 1.0
O A:HOH1103 4.3 28.5 1.0
CB A:LYS646 4.4 15.1 1.0
CG1 A:ILE690 4.5 14.9 1.0
CBB A:DB81001 4.6 12.3 1.0
CG2 A:THR692 4.6 13.1 1.0
O A:HOH1221 4.7 31.3 1.0
O A:HOH1273 4.7 15.5 1.0
CB A:GLU663 4.7 19.9 1.0
CG A:LYS646 4.8 18.0 1.0
NZ A:LYS646 4.8 42.6 1.0
NAD A:DB81001 4.9 15.9 1.0
CE A:LYS646 4.9 36.1 1.0

Chlorine binding site 2 out of 2 in 5i9x

Go back to Chlorine Binding Sites List in 5i9x
Chlorine binding site 2 out of 2 in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Bosutinib (Ski-606)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Bosutinib (Ski-606) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1001

b:15.8
occ:1.00
CL2 A:DB81001 0.0 15.8 1.0
CAZ A:DB81001 1.7 10.8 1.0
CAI A:DB81001 2.7 14.8 1.0
CBB A:DB81001 2.8 12.3 1.0
NAU A:DB81001 3.0 11.5 1.0
O A:HOH1204 3.2 19.1 1.0
O A:HOH1251 3.5 17.8 1.0
O A:HOH1328 3.7 35.7 1.0
O A:HOH1273 3.8 15.5 1.0
O A:HOH1326 3.9 33.4 1.0
O A:HOH1221 3.9 31.3 1.0
OG A:SER756 3.9 13.2 1.0
CB A:SER756 3.9 10.6 1.0
CAY A:DB81001 4.0 13.3 1.0
CAJ A:DB81001 4.0 11.5 1.0
N A:ASP757 4.0 11.7 1.0
CBE A:DB81001 4.1 11.5 1.0
NAD A:DB81001 4.3 15.9 1.0
CAG A:DB81001 4.3 13.2 1.0
CA A:ASP757 4.4 10.6 1.0
CAX A:DB81001 4.5 11.9 1.0
CD1 A:LEU746 4.6 11.1 1.0
CBA A:DB81001 4.6 10.3 1.0
CB A:ASP757 4.6 14.4 1.0
OE2 A:GLU663 4.7 30.3 1.0
C A:SER756 4.9 10.5 1.0
CA A:SER756 5.0 9.1 1.0

Reference:

S.Heinzlmeir, D.Kudlinzki, S.Sreeramulu, S.Klaeger, S.L.Gande, V.Linhard, M.Wilhelm, H.Qiao, D.Helm, B.Ruprecht, K.Saxena, G.Medard, H.Schwalbe, B.Kuster. Chemical Proteomics and Structural Biology Define EPHA2 Inhibition By Clinical Kinase Drugs. Acs Chem. Biol. V. 11 3400 2016.
ISSN: ESSN 1554-8937
PubMed: 27768280
DOI: 10.1021/ACSCHEMBIO.6B00709
Page generated: Sat Jul 12 03:02:39 2025

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