Structure of PDB 7jfy Chain B Binding Site BS01

Receptor Information
>7jfy Chain B (length=125) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TIVKPIVYGNVARYFGKKREEDGHTHQWTVYVKPYRNEDMSAYVKKIQFK
LHESYGNPLRVVTKPPYEITETGWGEFEIIIKIFFIDPNERPVTLYHLLK
LFQSDTNAMLGKKTVVSEFYDEMIF
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 B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7jfy GAS41 YEATS domain in complex with 5
Resolution2.10056 Å
Binding residue
(original residue number in PDB)		H43 H71 Y74 G92 W93 G94 E95 F96
Binding residue
(residue number reindexed from 1)		H24 H52 Y55 G73 W74 G75 E76 F77
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)

[Back to BioLiP]