Structure of PDB 1yns Chain A Binding Site BS02

Receptor Information
>1yns Chain A (length=254) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSVPAEVTVILLDIEGTTTPIAFVKDILFPYIEENVKEYLQTHWEEEECQ
QDVSLLRKQAEEDAHLDGAVPIPAASGNGVDDLQQMIQAVVDNVCWQMSL
DRKTTALKQLQGHMWRAAFTAGRMKAEFFADVVPAVRKWREAGMKVYIYS
SGSVEAQKLLFGHSTEGDILELVDGHFDTKIGHKVESESYRKIADSIGCS
TNNILFLTDVTREASAAEEADVHVAVVVRPGNAGLTDDEKTYYSLITSFS
ELYL
Ligand information
Ligand IDHPO
InChIInChI=1S/C7H15O4P/c1-2-3-4-5-7(8)6-12(9,10)11/h2-6H2,1H3,(H2,9,10,11)
InChIKeyACMQFLCUSWMWKH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCC(=O)CP(=O)(O)O
ACDLabs 10.04O=C(CCCCC)CP(=O)(O)O
CACTVS 3.341CCCCCC(=O)C[P](O)(O)=O
FormulaC7 H15 O4 P
Name2-OXOHEPTYLPHOSPHONIC ACID
ChEMBL
DrugBankDB07912
ZINCZINC000024708839
PDB chain1yns Chain A Residue 1261 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1yns Crystal structure of human e1 enzyme and its complex with a substrate analog reveals the mechanism of its phosphatase/enolase
Resolution1.7 Å
Binding residue
(original residue number in PDB)		E18 V27 L31 F32 W118 S153 S154 K187
Binding residue
(residue number reindexed from 1)		E15 V24 L28 F29 W115 S150 S151 K184
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.77: acireductone synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0005515 protein binding
GO:0016787 hydrolase activity
GO:0043715 2,3-diketo-5-methylthiopentyl-1-phosphate enolase activity
GO:0043716 2-hydroxy-3-keto-5-methylthiopentenyl-1-phosphate phosphatase activity
GO:0043874 acireductone synthase activity
GO:0046872 metal ion binding
Biological Process
GO:0009086 methionine biosynthetic process
GO:0019284 L-methionine salvage from S-adenosylmethionine
GO:0019509 L-methionine salvage from methylthioadenosine
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1yns, PDBe:1yns, PDBj:1yns
PDBsum1yns
PubMed15843022
UniProtQ9UHY7|ENOPH_HUMAN Enolase-phosphatase E1 (Gene Name=ENOPH1)

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