Structure of PDB 1ycd Chain A Binding Site BS01

Receptor Information
>1ycd Chain A (length=237) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VQIPKLLFLHGFLQNGKVFSEKSSGIRKLLKKANVQCDYIDAPVLLEKKD
LPFEMDDEKWQATLDADVNRAWFYHSEISHELDISEGLKSVVDHIKANGP
YDGIVGLSQGAALSSIITNKISELVPDHPQFKVSVVISGYSFTEPDPEHP
GELRITEKFRDSFAVKPDMKTKMIFIYGASDQAVPSVRSKYLYDIYLKAQ
NGNKEKVLAYEHPGGHMVPNKKDIIRPIVEQITSSLQ
Ligand information
Ligand IDLI5
InChIInChI=1S/C7H13O6P/c1-2-6(9)7(10)3-5(8)4-13-14(11)12/h5,8,14H,2-4H2,1H3,(H,11,12)/t5-/m1/s1
InChIKeyPYYIHKXJWNSAKF-RXMQYKEDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCC(=O)C(=O)C[C@H](CO[P@H](=O)O)O
CACTVS 3.341CCC(=O)C(=O)C[C@@H](O)CO[P@@H](O)=O
ACDLabs 10.04O=P(O)OCC(O)CC(=O)C(=O)CC
OpenEye OEToolkits 1.5.0CCC(=O)C(=O)CC(COP(=O)O)O
CACTVS 3.341CCC(=O)C(=O)C[CH](O)CO[PH](O)=O
FormulaC7 H13 O6 P
Name2-HYDROXY-4,5-DIOXOHEPTYL HYDROGEN PHOSPHONATE
ChEMBL
DrugBank
ZINCZINC000058650597
PDB chain1ycd Chain A Residue 800 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ycd Crystal structure of yeast YHR049W/FSH1, a member of the serine hydrolase family.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		G13 F14 F55 S110 Q111 H218
Binding residue
(residue number reindexed from 1)		G11 F12 F53 S108 Q109 H216
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Molecular Function
GO:0004622 lysophospholipase activity
GO:0016787 hydrolase activity
GO:0016788 hydrolase activity, acting on ester bonds
GO:0052689 carboxylic ester hydrolase activity
Biological Process
GO:0006915 apoptotic process
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ycd, PDBe:1ycd, PDBj:1ycd
PDBsum1ycd
PubMed15802654
UniProtP38777|FSH1_YEAST Family of serine hydrolases 1 (Gene Name=FSH1)

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