Structure of PDB 7jfy Chain A Binding Site BS01

Receptor Information
>7jfy Chain A (length=131) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVTIVKPIVYGNVARYFGKKREEDGHTHQWTVYVKPYRNEDMSAYVKKIQ
FKLHESYGNPLRVVTKPPYEITETGWGEFEIIIKIFFIDPNERPVTLYHL
LKLFQSDTNAMLGKKTVVSEFYDEMIFQDPT
Ligand information
Ligand IDV91
InChIInChI=1S/C16H18N4O2S2/c21-14(11-2-1-5-17-11)19-13-4-3-12(24-13)16(22)20-8-10(9-20)15-18-6-7-23-15/h3-4,6-7,10-11,17H,1-2,5,8-9H2,(H,19,21)/t11-/m0/s1
InChIKeyXXEFZFWFYAPRID-NSHDSACASA-N
SMILES
SoftwareSMILES
CACTVS 3.385O=C(Nc1sc(cc1)C(=O)N2CC(C2)c3sccn3)[CH]4CCCN4
CACTVS 3.385O=C(Nc1sc(cc1)C(=O)N2CC(C2)c3sccn3)[C@@H]4CCCN4
OpenEye OEToolkits 2.0.7c1cc(sc1C(=O)N2CC(C2)c3nccs3)NC(=O)[C@@H]4CCCN4
OpenEye OEToolkits 2.0.7c1cc(sc1C(=O)N2CC(C2)c3nccs3)NC(=O)C4CCCN4
ACDLabs 12.01C(C1CCCN1)(Nc4ccc(C(N2CC(C2)c3nccs3)=O)s4)=O
FormulaC16 H18 N4 O2 S2
NameN-(5-{3-[(2S)-1,3-thiazolidin-2-yl]azetidine-1-carbonyl}thiophen-2-yl)-L-prolinamide
ChEMBL
DrugBank
ZINC
PDB chain7jfy 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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PDB7jfy GAS41 YEATS domain in complex with 5
Resolution2.10056 Å
Binding residue
(original residue number in PDB)		H43 H71 S73 Y74 G92 W93 G94 E95 F96
Binding residue
(residue number reindexed from 1)		H26 H54 S56 Y57 G75 W76 G77 E78 F79
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006355 regulation of DNA-templated transcription

View graph for
Biological Process
External links
PDB RCSB:7jfy, PDBe:7jfy, PDBj:7jfy
PDBsum7jfy
PubMed
UniProtO95619|YETS4_HUMAN YEATS domain-containing protein 4 (Gene Name=YEATS4)

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