Structure of PDB 7fkt Chain A Binding Site BS01

Receptor Information
>7fkt Chain A (length=237) 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
TIKSYHLWPSFTDEQWITIESQMRDLILTEYGRKYNV
Ligand information
Ligand IDVBI
InChIInChI=1S/C10H13ClN2O3S/c1-12-10(14)7-13(17(2,15)16)9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyOERNFHOHISKBJE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNC(=O)CN(c1cccc(c1)Cl)S(=O)(=O)C
ACDLabs 12.01Clc1cc(ccc1)N(CC(=O)NC)S(C)(=O)=O
CACTVS 3.385CNC(=O)CN(c1cccc(Cl)c1)[S](C)(=O)=O
FormulaC10 H13 Cl N2 O3 S
NameN~2~-(3-chlorophenyl)-N~2~-(methanesulfonyl)-N-methylglycinamide
ChEMBL
DrugBank
ZINCZINC000022273254
PDB chain7fkt 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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PDB7fkt Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.44 Å
Binding residue
(original residue number in PDB)		H1888 F1890 F1989 N1990
Binding residue
(residue number reindexed from 1)		H56 F58 F157 N158
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:7fkt, PDBe:7fkt, PDBj:7fkt
PDBsum7fkt
PubMed36260741
UniProtP33334|PRP8_YEAST Pre-mRNA-splicing factor 8 (Gene Name=PRP8)

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