Structure of PDB 5ts5 Chain A Binding Site BS02

Receptor Information
>5ts5 Chain A (length=483) Species: 8725 (Bothrops atrox) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDRNPLEECFRETDYEEFLEIAKNGLSTTSNPKRVVIVGAGMSGLSAAYV
LANAGHQVTVLEASERAGGRVKTYRNEKEGWYANLGPMRLPEKHRIVREY
IRKFDLQLNEFSQENENAWYFIKNIRKRVGEVNKDPGVLEYPVKPSEVGK
SAGQLYEESLQKAVEELRRTNCSYMLNKYDTYSTKEYLLKEGNLSPGAVD
MIGDLLNEDSGYYVSFIESLKHDDIFAYEKRFDEIVGGMDKLPTSMYQAI
QEKVHLNARVIKIQQDVKEVTVTYQTSEKETLSVTADYVIVCTTSRAARR
IKFEPPLPPKKAHALRSVHYRSGTKIFLTCTKKFWEDDGIHGGKSTTDLP
SRFIYYPNHNFPNGVGVIIAYGIGDDANYFQALDFEDCGDIVINDLSLIH
QLPKEEIQAICRPSMIQRWSLDKYAMGGITTFTPYQFQHFSEALTAPVDR
IYFAGEYTAQAHGWIDSTIKSGLRAARDVNRAS
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5ts5 Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ts5 Crystal structure and molecular dynamics studies of L-amino acid oxidase from Bothrops atrox.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H314 H440
Binding residue
(residue number reindexed from 1)		H313 H439
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) P92 H223 K326
Catalytic site (residue number reindexed from 1) P91 H222 K325
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:0046872 metal ion binding
GO:0090729 toxin activity
GO:0106329 L-phenylalaine oxidase activity
Biological Process
GO:0006915 apoptotic process
GO:0009063 amino acid catabolic process
GO:0031640 killing of cells of another organism
GO:0042742 defense response to bacterium
GO:0044478 envenomation resulting in positive regulation of platelet aggregation in another organism
GO:0044532 modulation of apoptotic process in another organism
GO:0050829 defense response to Gram-negative bacterium
GO:0050830 defense response to Gram-positive bacterium
GO:0090330 regulation of platelet aggregation
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:5ts5, PDBe:5ts5, PDBj:5ts5
PDBsum5ts5
PubMed28137621
UniProtP0CC17|OXLA_BOTAT L-amino-acid oxidase

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