Structure of PDB 2tod Chain C Binding Site BS02

Receptor Information
>2tod Chain C (length=353) Species: 5691 (Trypanosoma brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDPFFVADLGDIVRKHETWKKCLPRVTPFYAVACNDDWRVLGTLAALGTG
FDCASNTEIQRVRGIGVPPEKIIYANPCKQISHIRYARDSGVDVMTFDCV
DELEKVAKTHPKAKMVLRISTLSVKFGAKVEDCRFILEQAKKLNIDVTGV
SFHVGSGSTDASTFAQAISDSRFVFDMGTELGFNMHILDIGGGFPGTRDA
PLKFEEIAGVINNALEKHFPPDLKLTIVAEPGRYYVASAFTLAVNVIAKK
VTPAQSFMYYVNDGVYGSFNCILYDHAVVRPLPQREPIPNEKLYPSSVWG
PTCDGLDQIVERYYLPEMQVGEWLLFEDMGAYTVVGTSSFNGFQSPTIYY
VVS
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 chain2tod Chain C Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2tod X-ray structure of ornithine decarboxylase from Trypanosoma brucei: the native structure and the structure in complex with alpha-difluoromethylornithine.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H197 S200 G236 G237 E274 G276 R277 Y389
Binding residue
(residue number reindexed from 1)		H153 S156 G192 G193 E230 G232 R233 Y332
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) A69 H197 E274
Catalytic site (residue number reindexed from 1) A33 H153 E230
Enzyme Commision number 4.1.1.17: ornithine decarboxylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004586 ornithine decarboxylase activity
GO:0016831 carboxy-lyase activity
Biological Process
GO:0006596 polyamine biosynthetic process
GO:0033387 putrescine biosynthetic process from ornithine
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2tod, PDBe:2tod, PDBj:2tod
PDBsum2tod
PubMed10563800
UniProtP07805|DCOR_TRYBB Ornithine decarboxylase

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