Structure of PDB 2jg2 Chain A Binding Site BS01

Receptor Information
>2jg2 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 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 chain2jg2 Chain A Residue 1265 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2jg2 The Structure of Serine Palmitoyltransferase; Gateway to Sphingolipid Biosynthesis.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		G134 Y135 N138 H159 D231 A233 H234 T262 S264 K265 I419
Binding residue
(residue number reindexed from 1)		G113 Y114 N117 H138 D210 A212 H213 T241 S243 K244 I398
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:2jg2, PDBe:2jg2, PDBj:2jg2
PDBsum2jg2
PubMed17559874
UniProtQ93UV0|SPT_SPHPI Serine palmitoyltransferase (Gene Name=spt)

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