Structure of PDB 4f6p Chain A Binding Site BS01

Receptor Information
>4f6p Chain A (length=261) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YVNASNMYGPPQNMSLPPPQTQTIQGTDQPYQYSQCTGRRKALIIGINYI
GSKNQLRGCINDAHNIFNFLTNGYGYSSDDIVILTDDQNDLVRVPTRANM
IRAMQWLVKDAQPNDSLFLHYSGHGGQTDDVIYPVDFETQGPIIDDEMHD
IMVKPLQQGVRLTALFDSAHSGTVLDLPYTYSTKGIIKEPNIFSAADVVM
LSGSKNTGAMSHAFIKVMTLQPQQSYLSLLQNMRKELAGKYSQKPQLSSS
HPIDVNLQFIM
Ligand information
Ligand IDDFH
InChIInChI=1S/C14H14O/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,15H,1H3
InChIKeyGIMDPFBLSKQRNP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01OC(c1ccccc1)(c2ccccc2)C
OpenEye OEToolkits 1.7.6CC(c1ccccc1)(c2ccccc2)O
CACTVS 3.370CC(O)(c1ccccc1)c2ccccc2
FormulaC14 H14 O
Name1,1-diphenylethanol
ChEMBL
DrugBank
ZINCZINC000001090568
PDB chain4f6p Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4f6p Crystal structure of the metacaspase Yca1
Resolution1.619 Å
Binding residue
(original residue number in PDB)		D182 Q184 N185 L187 V190
Binding residue
(residue number reindexed from 1)		D86 Q88 N89 L91 V94
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.22.-
Gene Ontology
Molecular Function
GO:0004197 cysteine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:4f6p, PDBe:4f6p, PDBj:4f6p
PDBsum4f6p
PubMed
UniProtQ08601|MCA1_YEAST Metacaspase-1 (Gene Name=MCA1)

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