Chlorine in PDB 2jiv: Crystal Structure of Egfr Kinase Domain T790M Mutation in Compex with Hki-272

All present enzymatic activity of Crystal Structure of Egfr Kinase Domain T790M Mutation in Compex with Hki-272:
2.7.1.112; 2.7.10.1;

The structure of Crystal Structure of Egfr Kinase Domain T790M Mutation in Compex with Hki-272, PDB code: 2jiv was solved by C.-H.Yun, K.E.Mengwasser, A.V.Toms, M.S.Woo, H.Greulich, K.-K.Wong, M.Meyerson, M.J.Eck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 3.5
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.087, 98.989, 73.326, 90.00, 109.94, 90.00
R / Rfree (%)	25.1 / 28.4

The binding sites of Chlorine atom in the Crystal Structure of Egfr Kinase Domain T790M Mutation in Compex with Hki-272 (pdb code 2jiv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Egfr Kinase Domain T790M Mutation in Compex with Hki-272, PDB code: 2jiv:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Egfr Kinase Domain T790M Mutation in Compex with Hki-272


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 Egfr Kinase Domain T790M Mutation in Compex with Hki-272 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1797 b:33.8 occ:1.00 CLA A:HKI1797 0.0 33.8 1.0 CBJ A:HKI1797 1.7 33.0 1.0 O A:LEU788 2.2 43.1 1.0 CBN A:HKI1797 2.7 33.1 1.0 CAR A:HKI1797 2.7 33.3 1.0 OBE A:HKI1797 2.9 32.7 1.0 N A:ILE744 3.2 44.6 1.0 C A:LEU788 3.3 43.7 1.0 CA A:ILE744 3.4 42.9 1.0 N A:LYS745 3.6 44.1 1.0 C A:ILE744 3.6 43.2 1.0 C A:ALA743 3.8 45.0 1.0 CB A:ALA743 3.9 41.4 1.0 CA A:ILE789 3.9 48.5 1.0 N A:ILE789 4.0 45.6 1.0 CAP A:HKI1797 4.0 33.6 1.0 CBI A:HKI1797 4.0 33.5 1.0 C A:ILE789 4.1 49.7 1.0 N A:MET790 4.1 51.0 1.0 CB A:LYS745 4.2 44.7 1.0 CB A:LEU788 4.2 40.7 1.0 NAD A:HKI1797 4.2 36.6 1.0 CAV A:HKI1797 4.3 31.2 1.0 CA A:LEU788 4.4 42.3 1.0 O A:ILE744 4.4 41.8 1.0 O A:ALA743 4.4 46.8 1.0 CA A:ALA743 4.5 44.4 1.0 CAJ A:HKI1797 4.5 36.4 1.0 CA A:LYS745 4.5 44.8 1.0 CAO A:HKI1797 4.5 33.5 1.0 CB A:MET790 4.6 53.8 1.0 O A:ILE789 4.7 50.3 1.0 CG A:MET790 4.8 57.7 1.0 CB A:ILE744 4.9 42.7 1.0 CA A:MET790 4.9 52.4 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Egfr Kinase Domain T790M Mutation in Compex with Hki-272


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 Egfr Kinase Domain T790M Mutation in Compex with Hki-272 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1797 b:31.4 occ:1.00 CLA B:HKI1797 0.0 31.4 1.0 CBJ B:HKI1797 1.7 30.6 1.0 CBN B:HKI1797 2.7 30.3 1.0 CAR B:HKI1797 2.7 30.6 1.0 OBE B:HKI1797 3.0 29.9 1.0 O B:ALA743 3.0 50.4 1.0 C B:ILE789 3.1 49.3 1.0 O B:LEU788 3.2 51.6 1.0 CA B:ILE789 3.3 48.9 1.0 N B:MET790 3.4 49.6 1.0 O B:ILE789 3.5 50.0 1.0 C B:ALA743 3.6 47.5 1.0 C B:LEU788 3.6 51.4 1.0 CB B:MET790 3.6 51.2 1.0 NAD B:HKI1797 3.6 31.8 1.0 N B:ILE789 3.7 50.1 1.0 CAP B:HKI1797 4.0 30.9 1.0 CAJ B:HKI1797 4.0 31.7 1.0 CBI B:HKI1797 4.0 30.5 1.0 CB B:LYS745 4.1 41.4 1.0 CA B:MET790 4.1 49.6 1.0 N B:ILE744 4.1 46.5 1.0 CG B:MET790 4.1 53.8 1.0 N B:LYS745 4.2 43.6 1.0 C B:ILE744 4.2 44.5 1.0 CB B:ALA743 4.2 45.7 1.0 CA B:ILE744 4.2 44.6 1.0 CAV B:HKI1797 4.3 30.0 1.0 CA B:ALA743 4.4 46.5 1.0 CAO B:HKI1797 4.5 30.9 1.0 CB B:ILE789 4.7 47.2 1.0 O B:ILE744 4.7 44.6 1.0 O B:MET790 4.7 48.1 1.0 N B:ALA743 4.7 44.8 1.0 CB B:LEU788 4.7 50.6 1.0 CA B:LYS745 4.8 43.0 1.0 CA B:LEU788 4.8 51.4 1.0 CBL B:HKI1797 4.8 31.4 1.0 C B:MET790 4.9 48.7 1.0 CAN B:HKI1797 4.9 30.2 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Egfr Kinase Domain T790M Mutation in Compex with Hki-272


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Egfr Kinase Domain T790M Mutation in Compex with Hki-272 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1984 b:12.1 occ:1.00 CE1 B:HIS850 3.8 42.9 1.0 NZ B:LYS846 4.1 48.4 1.0 NE A:ARG776 4.3 52.2 1.0 CZ A:ARG776 4.5 53.0 1.0 CA B:PRO772 4.6 44.9 1.0 ND1 B:HIS850 4.6 42.2 1.0 CD A:ARG776 4.7 49.8 1.0 NE2 B:HIS850 4.7 42.7 1.0 NH2 A:ARG776 4.7 53.6 1.0 CD B:LYS846 4.8 47.9 1.0 NZ B:LYS852 4.8 41.9 1.0 O B:PRO772 4.8 43.8 1.0 CE B:LYS852 4.8 39.3 1.0 CE B:LYS846 4.9 47.7 1.0 CB B:PRO772 4.9 46.1 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Egfr Kinase Domain T790M Mutation in Compex with Hki-272


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Egfr Kinase Domain T790M Mutation in Compex with Hki-272 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1985 b:45.6 occ:1.00 NH1 B:ARG977 3.6 55.9 1.0 CZ B:ARG977 4.8 57.0 1.0

C.-H.Yun, K.E.Mengwasser, A.V.Toms, M.S.Woo, H.Greulich, K.-K.Wong, M.Meyerson, M.J.Eck. The T790M Mutation in Egfr Kinase Causes Drug Resistance By Increasing the Affinity For Atp. Proc.Natl.Acad.Sci.Usa V. 105 2070 2008.
ISSN: ISSN 0027-8424
PubMed: 18227510
DOI: 10.1073/PNAS.0709662105