Structure of PDB 8h29 Chain A Binding Site BS01

Receptor Information
>8h29 Chain A (length=394) Species: 28454 (Sphingobacterium multivorum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKGKLGEKISQFKIVEELKAKGLYAYFRPIQSKQDTEVKIDGRRVLMFGS
NSYLGLTTDTRIIKAAQDALEKYGTGCAGSRFLNGTLDIHVELEEKLSAY
VGKEAAILFSTGFQSNLGPLSCLMGRNDYILLDERDHASIIDGSRLSFSK
VIKYGHNNMEDLRAKLSRLPEDSAKLICTDGIFSMEGDIVNLPELTSIAN
EFDAAVMVDDAHSLGVIGHKGAGTASHFGLNDDVDLIMGTFSKSLASLGG
FVAGDADVIDFLKHNARSVMFSASMTPASVASTLKALEIIQNEPEHIEKL
WKNTDYAKAQLLDHGFDLGATESPILPIFIRSNEKTFWVTKMLQDDGVFV
NPVVSPAVPAEESLIRFSLMATHTYDQIDEAIEKMVKVFKQAEV
Ligand information
Ligand ID2BO
InChIInChI=1S/C12H19N2O8P/c1-6-11(16)9(4-14-10(7(2)15)12(17)18)8(3-13-6)5-22-23(19,20)21/h3,7,10,14-16H,4-5H2,1-2H3,(H,17,18)(H2,19,20,21)/t7-,10+/m1/s1
InChIKeyIZWQBQLGLAKRMN-XCBNKYQSSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[C@@H](O)[C@H](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C(C)O)C(=O)O)O
ACDLabs 12.01O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C(O)C
OpenEye OEToolkits 1.7.6Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]([C@@H](C)O)C(=O)O)O
CACTVS 3.385C[CH](O)[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O
FormulaC12 H19 N2 O8 P
NameN-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-threonine
ChEMBL
DrugBank
ZINCZINC000006545593
PDB chain8h29 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8h29 Structural insights into the substrate recognition of serine palmitoyltransferase from Sphingobacterium multivorum.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		G113 F114 H138 D210 A212 H213 T241 S243 K244
Binding residue
(residue number reindexed from 1)		G112 F113 H137 D209 A211 H212 T240 S242 K243
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.50: serine C-palmitoyltransferase.
Gene Ontology
Molecular Function
GO:0004758 serine C-palmitoyltransferase activity
GO:0008710 8-amino-7-oxononanoate synthase activity
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
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8h29, PDBe:8h29, PDBj:8h29
PDBsum8h29
PubMed37030501
UniProtA7BFV6|SPT_SPHMU Serine palmitoyltransferase (Gene Name=spt)

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