Structure of PDB 1f3t Chain A Binding Site BS01

Receptor Information
>1f3t Chain A (length=378) Species: 5691 (Trypanosoma brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RFLEGFNTRDALCKKISGDPFFVADLGDIVRKHETWKKCLPRVTPFYAVK
CNDDWRVLGTLAALGTGFDCASNTEIQRVRGIGVPPEKIIYANPCKQISH
IRYARDSGVDVMTFDCVDELEKVAKTHPKAKMVLRISTVKFGAKVEDCRF
ILEQAKKLNIDVTGVSFHVGSGSTDASTFAQAISDSRFVFDMGTELGFNM
HILDIGGGFPGTRDAPLKFEEIAGVINNALEKHFPPDLKLTIVAEPGRYY
VASAFTLAVNVIAKKVTQSFMYYVNDGVYGSFNCILYDHAVVRPLPQREP
IPNEKLYPSSVWGPTCDGLDQIVERYYLPEMQVGEWLLFEDMGAYTVVGT
SSFNGFQSPTIYYVVSGLPDHVVRELKS
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 chain1f3t Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1f3t Altering the reaction specificity of eukaryotic ornithine decarboxylase.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		K69 H197 G237 E274 G276 R277 Y389
Binding residue
(residue number reindexed from 1)		K50 H168 G208 E245 G247 R248 Y345
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K69 H197 E274
Catalytic site (residue number reindexed from 1) K50 H168 E245
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:1f3t, PDBe:1f3t, PDBj:1f3t
PDBsum1f3t
PubMed10985770
UniProtP07805|DCOR_TRYBB Ornithine decarboxylase

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