Structure of PDB 2xbn Chain A Binding Site BS01

Receptor Information
>2xbn Chain A (length=398) Species: 13689 (Sphingomonas paucimobilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RDLLSKFDGLIAERQKLLDSGVTDPFAIVMEQVKSPTEAVIRGKDTILLG
TYNYMGMTFDPDVIAAGKEALEKFGSGTNGSRMLNGTFHDHMEVEQALRD
FYGTTGAIVFSTGYMANLGIISTLAGKGEYVILDADSHASIYDGCQQGNA
EIVRFRHNSVEDLDKRLGRLPKEPAKLVVLEGVYSMLGDIAPLKEMVAVA
KKHGAMVLVDEAHSMGFFGPNGRGVYEAQGLEGQIDFVVGTFSKSVGTVG
GFVVSNHPKFEAVRLACRPYIFTASLPPSVVATATTSIRKLMTAHEKRER
LWSNARALHGGLKAMGFRLGTETCDSAIVAVMLEDQEQAAMMWQALLDGG
LYVNMARPPATPAGTFLLRCSICAEHTPAQIQTVLGMFQAAGRAVGVI
Ligand information
Ligand IDPMP
InChIInChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)
InChIKeyZMJGSOSNSPKHNH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CN)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CN)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CN)c1O
FormulaC8 H13 N2 O5 P
Name4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE;
PYRIDOXAMINE-5'-PHOSPHATE
ChEMBLCHEMBL1235353
DrugBankDB02142
ZINCZINC000001532708
PDB chain2xbn Chain A Residue 1420 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2xbn Inhibition of the Plp-Dependent Enzyme Serine Palmitoyltransferase by Cycloserine: Evidence for a Novel Decarboxylative Mechanism of Inactivation.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		G134 Y135 H159 D231 T262 S264 K265
Binding residue
(residue number reindexed from 1)		G113 Y114 H138 D210 T241 S243 K244
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y73 H159 E202 S206 D231 H234 K265
Catalytic site (residue number reindexed from 1) Y52 H138 E181 S185 D210 H213 K244
Enzyme Commision number 2.3.1.50: serine C-palmitoyltransferase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0016746 acyltransferase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0006629 lipid metabolic process
GO:0006665 sphingolipid metabolic process
GO:0009058 biosynthetic process
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:2xbn, PDBe:2xbn, PDBj:2xbn
PDBsum2xbn
PubMed20445930
UniProtQ93UV0|SPT_SPHPI Serine palmitoyltransferase (Gene Name=spt)

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