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Structure of PDB 8iyt Chain A Binding Site BS01

Receptor Information
>8iyt 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 IDS5R
InChIInChI=1S/C12H19N2O8P/c1-7-10(16)9(4-14-12(2,6-15)11(17)18)8(3-13-7)5-22-23(19,20)21/h3,14-16H,4-6H2,1-2H3,(H,17,18)(H2,19,20,21)/t12-/m1/s1
InChIKeyFVZJSLHHGJVQIU-GFCCVEGCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@](C)(CO)C(=O)O)O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(CN[C](C)(CO)C(O)=O)c1O
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)(CO)C(=O)O)O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(CN[C@](C)(CO)C(O)=O)c1O
FormulaC12 H19 N2 O8 P
Name(2~{R})-2-methyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid
ChEMBL
DrugBank
ZINC
PDB chain8iyt 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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PDB8iyt Crystal structure of Serine Palmitoyltransferase from Sphingobacterium multivorum
Resolution1.7 Å
Binding residue
(original residue number in PDB)
N52 G113 F114 H138 D210 A212 H213 S243 K244
Binding residue
(residue number reindexed from 1)
N51 G112 F113 H137 D209 A211 H212 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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Cellular Component
External links
PDB RCSB:8iyt, PDBe:8iyt, PDBj:8iyt
PDBsum8iyt
PubMed
UniProtA7BFV6|SPT_SPHMU Serine palmitoyltransferase (Gene Name=spt)

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