Structure of PDB 6ddi Chain B Binding Site BS02

Receptor Information
>6ddi Chain B (length=107) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TNQLQYLHKVVMKALWKHQFAWPFRQPVDAVKLGLPDYHKIIKQPMDMGT
IKRRLENNYYWAASECMQDFNTMFTNCYIYNKPTDDIVLMAQTLEKIFLQ
KVASMPQ
Ligand information
Ligand ID03S
InChIInChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)
InChIKeyAFVFQIVMOAPDHO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=S(=O)(O)C
OpenEye OEToolkits 1.7.2CS(=O)(=O)O
CACTVS 3.370C[S](O)(=O)=O
FormulaC H4 O3 S
Namemethanesulfonic acid
ChEMBLCHEMBL3039600
DrugBank
ZINC
PDB chain6ddi Chain B Residue 302 [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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PDB6ddi Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		W97 R100
Binding residue
(residue number reindexed from 1)		W22 R25
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6ddi, PDBe:6ddi, PDBj:6ddi
PDBsum6ddi
PubMed32651255
UniProtP25440|BRD2_HUMAN Bromodomain-containing protein 2 (Gene Name=BRD2)

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