Structure of PDB 5h1v Chain A Binding Site BS01

Receptor Information
>5h1v Chain A (length=169) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NEDWCAVCQNGGELLCCEKCPKVFHLSCHVPTLTNFPSGEWICTFCRDLS
KPEVEYKKTEGLVKLTPIDKRKCERLLLFLYCHEMSLAFQDPVPLTVPDY
YKIIKNPMDLSTIKKRLQESMYSKPEDFVADFRLIFQNCAEFNEPDSEVA
NAGIKLENYFEELLKNLYP
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5h1v Chain A Residue 1101 [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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PDB5h1v The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
Resolution2.002 Å
Binding residue
(original residue number in PDB)
C829 C832 H849 C852
Binding residue
(residue number reindexed from 1)
C5 C8 H25 C28
Annotation score4
Enzymatic activity
Enzyme Commision number 2.3.2.27: RING-type E3 ubiquitin transferase.
External links
PDB RCSB:5h1v, PDBe:5h1v, PDBj:5h1v
PDBsum5h1v
PubMed28207202
UniProtO15164|TIF1A_HUMAN Transcription intermediary factor 1-alpha (Gene Name=TRIM24)

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