Chlorine in PDB 6het: Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative AT055

The structure of Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative AT055, PDB code: 6het was solved by D.Kudlinzki, A.Troester, K.Witt, V.L.Linhard, S.L.Gande, K.Saxena, H.Schwalbe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.43 / 1.21
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	32.826, 107.404, 40.577, 90.00, 108.72, 90.00
R / Rfree (%)	19.1 / 21

The binding sites of Chlorine atom in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative AT055 (pdb code 6het). 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 the Nvp-BHG712 Derivative AT055, PDB code: 6het:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative AT055


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 the Nvp-BHG712 Derivative AT055 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1000 b:25.0 occ:0.52 CL A:G0Q1000 0.0 25.0 0.5 CL A:G0Q1000 0.0 21.6 0.5 CAB A:G0Q1000 1.8 21.0 0.5 CAB A:G0Q1000 1.8 21.4 0.5 CAA A:G0Q1000 2.7 23.8 0.5 CAA A:G0Q1000 2.7 23.8 0.5 CAD A:G0Q1000 2.7 18.8 0.5 CAD A:G0Q1000 2.8 19.7 0.5 O A:VAL755 3.8 13.3 1.0 CAC A:G0Q1000 4.0 23.5 0.5 CAC A:G0Q1000 4.0 24.3 0.5 CA A:SER756 4.0 14.3 1.0 CAF A:G0Q1000 4.0 18.8 0.5 CAF A:G0Q1000 4.0 19.0 0.5 C A:SER756 4.1 14.6 1.0 CG2 A:ILE675 4.2 15.5 1.0 C A:VAL755 4.2 13.1 1.0 N A:SER756 4.3 13.8 1.0 CD1 A:LEU730 4.4 15.5 1.0 O A:SER756 4.4 14.7 1.0 CG1 A:VAL755 4.4 16.0 1.0 CE2 A:PHE670 4.4 22.9 1.0 N A:ASP757 4.5 15.9 1.0 CAE A:G0Q1000 4.5 22.7 0.5 CAE A:G0Q1000 4.5 22.9 0.5 CD2 A:HIS737 4.6 17.0 1.0 CD2 A:PHE670 4.6 24.3 1.0 CG2 A:ILE676 4.7 18.0 1.0 CD2 A:LEU730 4.7 18.1 1.0 NE2 A:HIS737 4.8 17.2 1.0 CB A:ASP757 4.9 19.9 1.0 OBH A:G0Q1000 4.9 19.4 0.5 OBH A:G0Q1000 4.9 14.7 0.5 CE2 A:TYR735 5.0 16.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with the Nvp-BHG712 Derivative AT055


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 the Nvp-BHG712 Derivative AT055 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1000 b:21.6 occ:0.48 CL A:G0Q1000 0.0 21.6 0.5 CL A:G0Q1000 0.0 25.0 0.5 CAB A:G0Q1000 1.8 21.0 0.5 CAB A:G0Q1000 1.8 21.4 0.5 CAA A:G0Q1000 2.7 23.8 0.5 CAA A:G0Q1000 2.7 23.8 0.5 CAD A:G0Q1000 2.7 18.8 0.5 CAD A:G0Q1000 2.8 19.7 0.5 O A:VAL755 3.8 13.3 1.0 CAC A:G0Q1000 4.0 23.5 0.5 CAC A:G0Q1000 4.0 24.3 0.5 CA A:SER756 4.0 14.3 1.0 CAF A:G0Q1000 4.0 18.8 0.5 CAF A:G0Q1000 4.0 19.0 0.5 C A:SER756 4.1 14.6 1.0 CG2 A:ILE675 4.2 15.5 1.0 C A:VAL755 4.2 13.1 1.0 N A:SER756 4.3 13.8 1.0 CD1 A:LEU730 4.4 15.5 1.0 O A:SER756 4.4 14.7 1.0 CG1 A:VAL755 4.4 16.0 1.0 CE2 A:PHE670 4.4 22.9 1.0 N A:ASP757 4.5 15.9 1.0 CAE A:G0Q1000 4.5 22.7 0.5 CAE A:G0Q1000 4.5 22.9 0.5 CD2 A:HIS737 4.6 17.0 1.0 CD2 A:PHE670 4.6 24.3 1.0 CG2 A:ILE676 4.7 18.0 1.0 CD2 A:LEU730 4.7 18.1 1.0 NE2 A:HIS737 4.8 17.2 1.0 CB A:ASP757 4.9 19.9 1.0 OBH A:G0Q1000 4.9 19.4 0.5 OBH A:G0Q1000 4.9 14.7 0.5 CE2 A:TYR735 5.0 16.7 1.0

A.Troester, D.Kudlinzki, K.Saxena, S.Gande, H.Schwalbe. Effects of Nvp-BHG712 Chemical Modifications on EPHA2 Binding and Affinity To Be Published.