Structure of PDB 6e2b Chain A Binding Site BS01

Receptor Information
>6e2b Chain A (length=76) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQL
EDGRTLSDYNIQKESTLHLVLRLRGG
Ligand information
Ligand IDPT7
InChIInChI=1S/C18H15P.C11H8N.ClH.Pt/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-15H;1-6,8-9H;1H;/q;;;+2
InChIKeyKHJLZDWNJSEPIZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pt+2]4(c5ccccc5C6=CC=CC=[N]64)Cl
CACTVS 3.385Cl[Pt++]c1ccccc1c2ccccn2.c3ccc(cc3)P(c4ccccc4)c5ccccc5
ACDLabs 12.01[Pt+2]2(n1ccccc1c3ccccc23)(Cl)P(c4ccccc4)(c5ccccc5)c6ccccc6
FormulaC29 H23 Cl N P Pt
Namechloro[2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~](triphenyl-lambda~5~-phosphanyl)platinum(2+);
PtII(2-phenylpyridine)(tri-phenylphosphine)Cl
ChEMBL
DrugBank
ZINC
PDB chain6e2b Chain A Residue 105 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6e2b Reactions of Cyclometalated Platinum(II) [Pt(N∧C)(PR3)Cl] Complexes with Imidazole and Imidazole-Containing Biomolecules: Fine-Tuning of Reactivity and Photophysical Properties via Ligand Design.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		K6 T7 L8 I44 A46 G47 H68 V70
Binding residue
(residue number reindexed from 1)		K6 T7 L8 I44 A46 G47 H68 V70
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6e2b, PDBe:6e2b, PDBj:6e2b
PDBsum6e2b
PubMed30376305
UniProtP62992|RS27A_BOVIN Ubiquitin-ribosomal protein eS31 fusion protein (Gene Name=RPS27A)

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