Structure of PDB 5vwv Chain A Binding Site BS02

Receptor Information
>5vwv Chain A (length=170) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPLGSMSEEQVAQDTEEVFRSYVFYRHQQEQEAEGVAAPADPEMVTLPLQ
PSSTMGQVGRQLAIIGDDINRRYDSEFQTMLQHLQPTAENAYEYFTKIAT
SLFESGINWGRVVALLGFGYRLALHVYQHGLTGFLGQVTRFVVDFMLHHS
IARWIAQRGGWVAALNLGNG
Ligand information
Ligand IDTFA
InChIInChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKeyDTQVDTLACAAQTR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01FC(F)(F)C(=O)O
CACTVS 3.370OC(=O)C(F)(F)F
OpenEye OEToolkits 1.7.0C(=O)(C(F)(F)F)O
FormulaC2 H F3 O2
Nametrifluoroacetic acid
ChEMBLCHEMBL506259
DrugBank
ZINCZINC000003860798
PDB chain5vwv Chain A Residue 201 [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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PDB5vwv Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Resolution1.897 Å
Binding residue
(original residue number in PDB)		R42 N86 R137
Binding residue
(residue number reindexed from 1)		R26 N70 R121
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0042981 regulation of apoptotic process

View graph for
Biological Process
External links
PDB RCSB:5vwv, PDBe:5vwv, PDBj:5vwv
PDBsum5vwv
PubMed29149594
UniProtQ16611|BAK_HUMAN Bcl-2 homologous antagonist/killer (Gene Name=BAK1)

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