Structure of PDB 2oo0 Chain A Binding Site BS01

Receptor Information
>2oo0 Chain A (length=419) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGENLYFQSLMNNFGNEEFDCHFLDEGFTAKDILDQKINEVSSSDDKDAF
YVADLGDILKKHLRWLKALPRVTPFYAVKCNDSKAIVKTLAATGTGFDCA
SKTEIQLVQSLGVPPERIIYANPCKQVSQIKYAANNGVQMMTFDSEVELM
KVARAHPKAKLVLRIATDDSKAVCRLSVKFGATLRTSRLLLERAKELNID
VVGVSFHVGSGCTDPETFVQAISDARCVFDMGAEVGFSMYLLDIGGGFPG
SEDVKLKFEEITGVINPALDKYFPSDSGVRIIAEPGRYYVASAFTLAVNI
IAKKIVLEQTFMYYVNDGVYGSFNCILYDHAHVKPLLQKRPKPDEKYYSS
SIWGPTCDGLDRIVERCDLPEMHVGDWMLFENMGAYTVAAASTFNGFQRP
TIYYVMSGPAWQLMQQFQN
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain2oo0 Chain A Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2oo0 A structural insight into the inhibition of human and Leishmania donovani ornithine decarboxylases by 1-amino-oxy-3-aminopropane.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		A67 K69 D88 H197 S200 G237 E274 G276 R277 Y389
Binding residue
(residue number reindexed from 1)		A77 K79 D98 H207 S210 G247 E284 G286 R287 Y386
Annotation score1
Binding affinityMOAD: Kd=0.05uM
Enzymatic activity
Catalytic site (original residue number in PDB) K69 H197 E274
Catalytic site (residue number reindexed from 1) K79 H207 E284
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
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Cellular Component
External links
PDB RCSB:2oo0, PDBe:2oo0, PDBj:2oo0
PDBsum2oo0
PubMed17407445
UniProtP11926|DCOR_HUMAN Ornithine decarboxylase (Gene Name=ODC1)

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