Structure of PDB 2on3 Chain A Binding Site BS01

Receptor Information
>2on3 Chain A (length=392) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEFDCHFLDEGFTAKDILDQKINEVSSSDDKDAFYVADLGDILKKHLRWL
KALPRVTPFYAVKCNDSKAIVKTLAATGTGFDCASKTEIQLVQSLGVPPE
RIIYANPCKQVSQIKYAANNGVQMMTFDSEVELMKVARAHPKAKLVLRIA
TVKFGATLRTSRLLLERAKELNIDVVGVSFHVGSGCTDPETFVQAISDAR
CVFDMGAEVGFSMYLLDIGGGFPGSEDVKLKFEEITGVINPALDKYFPSD
SGVRIIAEPGRYYVASAFTLAVNIIAKKIVLEQTFMYYVNDGVYGSFNCI
LYDHAHVKPLLQKRPKPDEKYYSSSIWGPTCDGLDRIVERCDLPEMHVGD
WMLFENMGAYTVAAASTFNGFQRPTIYYVMSGPAWQLMQQFQ
Ligand information
Ligand IDXAP
InChIInChI=1S/C3H10N2O/c4-2-1-3-6-5/h1-5H2
InChIKeyVSZFWDPIWSPZON-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NCCCON
ACDLabs 10.04O(N)CCCN
OpenEye OEToolkits 1.5.0C(CN)CON
FormulaC3 H10 N2 O
Name3-AMINOOXY-1-AMINOPROPANE
ChEMBLCHEMBL281021
DrugBank
ZINC
PDB chain2on3 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2on3 A structural insight into the inhibition of human and Leishmania donovani ornithine decarboxylases by 1-amino-oxy-3-aminopropane.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		G237 F238 P275 G276 R277 Y389
Binding residue
(residue number reindexed from 1)		G221 F222 P259 G260 R261 Y360
Annotation score2
Binding affinityPDBbind-CN: -logKd/Ki=9.00,Ki=1.0nM
Enzymatic activity
Catalytic site (original residue number in PDB) K69 H197 E274
Catalytic site (residue number reindexed from 1) K63 H181 E258
Enzyme Commision number 4.1.1.17: ornithine decarboxylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004586 ornithine decarboxylase activity
GO:0005515 protein binding
GO:0016831 carboxy-lyase activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0001822 kidney development
GO:0006595 polyamine metabolic process
GO:0006596 polyamine biosynthetic process
GO:0008283 cell population proliferation
GO:0008284 positive regulation of cell population proliferation
GO:0009615 response to virus
GO:0033387 putrescine biosynthetic process from ornithine
GO:0042176 regulation of protein catabolic process
Cellular Component
GO:0005575 cellular_component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2on3, PDBe:2on3, PDBj:2on3
PDBsum2on3
PubMed17407445
UniProtP11926|DCOR_HUMAN Ornithine decarboxylase (Gene Name=ODC1)

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