Structure of PDB 1szr Chain D Binding Site BS01

Receptor Information
>1szr Chain D (length=368) Species: 5702 (Trypanosoma brucei brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RFLEGFNTRDALCKKISGDPFFVADLGDIVRKHETWKKCLPRVTPFYAVK
CNDDWRVLGTLAALGTGFDCASNTEIQRVRGIGVPPEKIIYANPCKQISH
IRYARDSGVDVMTFDCVDELEKVAKTHPKAKMVLRISTVKFGAKVEDCRF
ILEQAKKLNIDVTGVSFHVGSGSTDASTFAQAISDSRFVFDMGTELGFNM
HILDIGGGFPGTRDAPLKFEEIAGVINNALEKHFPPDLKLTIVAEPGRYY
VASAFTLAVNVIAKAVTPAQSFMYYVNDGVYGSFNCILYDHAVVRPLPQR
EPIPNEKLYPSSVWGPTCDGLDQIVERYYLPEMQVGEWLLFEDMGAYTVV
GTSSFNGFQSPTIYYVVS
Ligand information
Ligand IDPXP
InChIInChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14)
InChIKeyWHOMFKWHIQZTHY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CO)c1O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CO)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CO)O
FormulaC8 H12 N O6 P
NamePYRIDOXINE-5'-PHOSPHATE
ChEMBL
DrugBankDB02209
ZINCZINC000001532705
PDB chain1szr Chain D Residue 575 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1szr Multiple active site conformations revealed by distant site mutation in ornithine decarboxylase
Resolution2.15 Å
Binding residue
(original residue number in PDB)		K69 R154 H197 G237 E274 G276 R277 Y389
Binding residue
(residue number reindexed from 1)		K50 R135 H168 G208 E245 G247 R248 Y347
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:1szr, PDBe:1szr, PDBj:1szr
PDBsum1szr
PubMed15476392
UniProtP07805|DCOR_TRYBB Ornithine decarboxylase

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