Structure of PDB 1qu4 Chain D Binding Site BS01

Receptor Information
>1qu4 Chain D (length=356) Species: 5691 (Trypanosoma brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DEGDPFFVADLGDIVRKHETWKKCLPRVTPFYAVKCNDDWRVLGTLAALG
TGFDCASNTEIQRVRGIGVPPEKIIYANPCKQISHIRYARDSGVDVMTFD
CVDELEKVAKTHPKAKMVLRISTLSVKFGAKVEDCRFILEQAKKLNIDVT
GVSFHVGSGSTDASTFAQAISDSRFVFDMGTELGFNMHILDIGGGFPGTR
DAPLKFEEIAGVINNALEKHFPPDLKLTIVAEPGRYYVASAFTLAVNVIA
KKVTPAQSFMYYVNDGVYGSFNCILYDHAVVRPLPQREPIPNEKLYPSSV
WGPTCDGLDQIVERYYLPEMQVGEWLLFEDMGAYTVVGTSSFNGFQSPTI
YYVVSG
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 chain1qu4 Chain D Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qu4 X-ray structure of ornithine decarboxylase from Trypanosoma brucei: the native structure and the structure in complex with alpha-difluoromethylornithine.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		K69 H197 S200 G236 G237 E274 G276 R277 Y389
Binding residue
(residue number reindexed from 1)		K35 H155 S158 G194 G195 E232 G234 R235 Y334
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K69 H197 E274
Catalytic site (residue number reindexed from 1) K35 H155 E232
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:1qu4, PDBe:1qu4, PDBj:1qu4
PDBsum1qu4
PubMed10563800
UniProtP07805|DCOR_TRYBB Ornithine decarboxylase

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