Structure of PDB 7fmi Chain A Binding Site BS01

Receptor Information
>7fmi Chain A (length=252) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAMNSSNYAELFNNDIKLFVDDTNVYRVTVHKTFEGNVATKAINGCIFTL
NPKTGHLFLKIIHTSVWAGQKRLSQLAKWKTAEEVSALVRSLPKEEQPKQ
IIVTRKAMLDPLEVHMLDFPNIAIRPTELRLPFSAAMSIDKLSDVVMKAT
EPQMVLFNIYDDWLDRISSYTAFSRLTLLLRALKTNEESAKMILLSDPTI
TIKSYHLWPSFTDEQWITIESQMRDLILTEYGRKYNVNISALTQTEIKDI
IL
Ligand information
Ligand IDWBQ
InChIInChI=1S/C13H17NO4/c1-18-11-7-3-2-6-10(11)14-12(15)8-4-5-9-13(16)17/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyHVJNOFLVHNEZLB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		COc1ccccc1NC(=O)CCCCC(=O)O
CACTVS 3.385COc1ccccc1NC(=O)CCCCC(O)=O
FormulaC13 H17 N O4
Name6-(2-methoxyanilino)-6-oxohexanoic acid
ChEMBL
DrugBank
ZINCZINC000035721247
PDB chain7fmi Chain A Residue 2101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7fmi Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.34 Å
Binding residue
(original residue number in PDB)		Y1840 Y2002 S2006 T2009 R2056 I2083
Binding residue
(residue number reindexed from 1)		Y8 Y170 S174 T177 R224 I251
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0000398 mRNA splicing, via spliceosome
Cellular Component
GO:0005681 spliceosomal complex

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Biological Process
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Cellular Component
External links
PDB RCSB:7fmi, PDBe:7fmi, PDBj:7fmi
PDBsum7fmi
PubMed36260741
UniProtP33334|PRP8_YEAST Pre-mRNA-splicing factor 8 (Gene Name=PRP8)

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