Structure of PDB 2w8u Chain A Binding Site BS01

Receptor Information
>2w8u Chain A (length=397) Species: 13689 (Sphingomonas paucimobilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLLSKFDGLIAERQKLLDSGVTDPFAIVMEQVKSPTEAVIRGKDTILLGT
YNYMGMTFDPDVIAAGKEALEKFGSGTYGSRMLNGTFHDHMEVEQALRDF
YGTTGAIVFSTGYMANLGIISTLAGKGEYVILDADSHASIYDGCQQGNAE
IVRFRHNSVEDLDKRLGRLPKEPAKLVVLEGVYSMLGDIAPLKEMVAVAK
KHGAMVLVDEAHSMGFFGPNGRGVYEAQGLEGQIDFVVGTFSKSVGTVGG
FVVSNHPKFEAVRLACRPYIFTASLPPSVVATATTSIRKLMTAHEKRERL
WSNARALHGGLKAMGFRLGTETCDSAIVAVMLEDQEQAAMMWQALLDGGL
YVNMARPPATPAGTFLLRCSICAEHTPAQIQTVLGMFQAAGRAVGVI
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 chain2w8u 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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PDB2w8u The External-Aldimine Form of Serine Palmitoyltranserase; Structural, Kinetic and Spectroscopic Analysis of the Wild-Type Enzyme and Hsan1 Mutant Mimics.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		G134 Y135 N138 H159 S161 D231 A233 H234 T262 S264 K265 I419
Binding residue
(residue number reindexed from 1)		G112 Y113 N116 H137 S139 D209 A211 H212 T240 S242 K243 I397
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) Y51 H137 E180 S184 D209 H212 K243
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:2w8u, PDBe:2w8u, PDBj:2w8u
PDBsum2w8u
PubMed19376777
UniProtQ93UV0|SPT_SPHPI Serine palmitoyltransferase (Gene Name=spt)

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