Structure of PDB 7fkh Chain A Binding Site BS01

Receptor Information

>7fkh 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 ID

WAX

InChI

InChI=1S/C11H14N2O2/c12-10-3-1-2-9(8-10)11(14)13-4-6-15-7-5-13/h1-3,8H,4-7,12H2

InChIKey

RFFVEVKGZGRRCP-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)N)C(=O)N2CCOCC2
ACDLabs 12.01	O=C(c1cccc(N)c1)N1CCOCC1
CACTVS 3.385	Nc1cccc(c1)C(=O)N2CCOCC2

Formula

C11 H14 N2 O2

Name

(3-aminophenyl)(morpholin-4-yl)methanone

PDB chain

7fkh 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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Structure summary

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PDB	7fkh Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution	1.44 Å
Binding residue (original residue number in PDB)	H1888 L1889 F1890 N1990
Binding residue (residue number reindexed from 1)	H56 L57 F58 N158
Annotation score	1

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:7fkh, PDBe:7fkh, PDBj:7fkh
PDBsum	7fkh
PubMed	36260741
UniProt	P33334\|PRP8_YEAST Pre-mRNA-splicing factor 8 (Gene Name=PRP8)

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