Structure of PDB 1al8 Chain A Binding Site BS02

Receptor Information
>1al8 Chain A (length=344) Species: 3562 (Spinacia oleracea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEITNVNEYEAIAKQKLPKMVYDYYASGAEDQWTLAENRNAFSRILFRPR
ILIDVTNIDMTTTILGFKISMPIMIAPTAMQKMAHPEGEYATARAASAAG
TIMTLSSWATSSVEEVASTGPGIRFFQLYVYKDRNVVAQLVRRAERAGFK
AIALTVDTPRLIKNRFVLPPFLTLKNFEGIDLGLSSYVAGQIDRSLSWKD
VAWLQTITSLPILVKGVITAEDARLAVQHGAAGIIVSNHGARQLDYVPAT
IMALEEVVKAAQGRIPVFLDGGVRRGTDVFKALALGAAGVFIGRPVVFSL
AAEGEAGVKKVLQMMRDEFELTMALSGCRSLKEISRSHIAADWD
Ligand information
Ligand IDDHP
InChIInChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-9-10-11-12(16)14(18)15-13(11)17/h2-10H2,1H3,(H2,15,16,17,18)
InChIKeyLXIDJQZEXUQBGG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCC1=C(C(=O)NC1=O)O
CACTVS 3.341CCCCCCCCCCC1=C(O)C(=O)NC1=O
ACDLabs 10.04O=C1C(=C(O)C(=O)N1)CCCCCCCCCC
FormulaC14 H23 N O3
Name3-DECYL-2,5-DIOXO-4-HYDROXY-3-PYRROLINE
ChEMBL
DrugBankDB03064
ZINCZINC000053684140
PDB chain1al8 Chain A Residue 361 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1al8 Three-dimensional structures of glycolate oxidase with bound active-site inhibitors.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		Y24 W108 Y129 F172 H254 R257
Binding residue
(residue number reindexed from 1)		Y24 W108 Y129 F166 H239 R242
Annotation score1
Binding affinityMOAD: Ki=4.8uM
PDBbind-CN: -logKd/Ki=5.32,Ki=4.8uM
Enzymatic activity
Catalytic site (original residue number in PDB) S106 Y129 T155 D157 K230 H254
Catalytic site (residue number reindexed from 1) S106 Y129 T155 D157 K215 H239
Enzyme Commision number 1.1.3.15: (S)-2-hydroxy-acid oxidase.
Gene Ontology
Molecular Function
GO:0003973 (S)-2-hydroxy-acid oxidase activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
Biological Process
GO:0009853 photorespiration
GO:0009854 oxidative photosynthetic carbon pathway
GO:0051707 response to other organism
Cellular Component
GO:0005777 peroxisome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1al8, PDBe:1al8, PDBj:1al8
PDBsum1al8
PubMed9144771
UniProtP05414|GOX_SPIOL Glycolate oxidase

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