Structure of PDB 1tdk Chain A Binding Site BS02

Receptor Information
>1tdk Chain A (length=484) Species: 8714 (Gloydius halys) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRNPLEECFRETDYEEFLEIARNGLKATSNPKHVVVVGAGMSGLSAAYVL
SGAGHQVTVLEASERAGGRVRTYRNDKEDWYANLGPMRLPEKHRIVREYI
RKFGLQLNEFSQENDNAWYFIKNIRKRVGEVKKDPGVLKYPVKPSEEGKS
AGQLYEESLGKVVEELKRTNCSYILNKYDTYSTKEYLLKEGNLSPGAVDM
IGDLMNEDSGYYVSFPESLRHDDIFAYEKRFDEIVGGMDKLPTSMYRAIE
EKVHLNAQVIKIQKNAEKVTVVYQTPAKEMASVTADYVIVCTTSRATRRI
KFEPPLPPKKAHALRSVHYRSGTKIFLTCTKKFWEDEGIHGGKSTTDLPS
RFIYYPNHNFTSGVGVIIAYGIGDDANFFQALDFKDCADIVINDLSLIHQ
LPREEIQTFCYPSMIQKWSLDKYAMGGITTFTPYQFQHFSESLTASVDRI
YFAGEHTAEAHGWIDSTIKSGLRAARDVNRASEQ
Ligand information
Ligand IDLVG
InChIInChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2-3H,1,5H2,(H,6,7)/t3-/m0/s1
InChIKeyRQVLGLPAZTUBKX-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(\C=C)N
CACTVS 3.341N[CH](C=C)C(O)=O
CACTVS 3.341N[C@@H](C=C)C(O)=O
OpenEye OEToolkits 1.5.0C=CC(C(=O)O)N
OpenEye OEToolkits 1.5.0C=C[C@@H](C(=O)O)N
FormulaC4 H7 N O2
NameL-VINYLGLYCINE;
(2S)-2-AMINO-3-BUTENOIC ACID;
(2S)-2-AMINOBUT-3-ENOIC ACID
ChEMBL
DrugBankDB03214
ZINCZINC000001566185
PDB chain1tdk Chain A Residue 487 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1tdk Structures of L-amino acid oxidase in complexes with substrates and substrate analogue
Resolution2.7 Å
Binding residue
(original residue number in PDB)		R90 N208 H223 Y356
Binding residue
(residue number reindexed from 1)		R88 N206 H221 Y354
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) P92 H223 K326
Catalytic site (residue number reindexed from 1) P90 H221 K324
Enzyme Commision number 1.4.3.2: L-amino-acid oxidase.
Gene Ontology
Molecular Function
GO:0001716 L-amino-acid oxidase activity
GO:0016491 oxidoreductase activity
GO:0090729 toxin activity
Biological Process
GO:0006915 apoptotic process
GO:0009063 amino acid catabolic process
GO:0031640 killing of cells of another organism
GO:0035821 modulation of process of another organism
GO:0042742 defense response to bacterium
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1tdk, PDBe:1tdk, PDBj:1tdk
PDBsum1tdk
PubMed
UniProtQ6STF1|OXLA_GLOHA L-amino-acid oxidase

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