Structure of PDB 7cqk Chain T Binding Site BS01

Receptor Information
>7cqk Chain T (length=497) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IHHVTQNGGLYKRPFNEAFEETPMLVAVLTYVGYGVLTLFGYLRDFLRYW
RIEKCHHATEREEQKDFVSLYQDFENFYTRNLYMRIRDNWNRPICSVPGA
RVDIMERQSHDYNWSFKYTGNIIKGVINMGSYNYLGFARNTGSCQEAAAK
VLEEYGAGVCSTRQEIGNLDKHEELEELVARFLGVEAAMAYGMGFATNSM
NIPALVGKGCLILSDELNHASLVLGARLSGATIRIFKHNNMQSLEKLLKD
AIVYGQPRTRRPWKKILILVEGIYSMEGSIVRLPEVIALKKKYKAYLYLD
EAHSIGALGPTGRGVVEYFGLDPEDVDVMMGTFTKSFGASGGYIGGKKEL
IDYLRTHSHSAVYATSLSPPVVEQIITSMKCIMGLGKECVQQLAENTRYF
RRRLKEMGFIIYGNEDSPVVPLMLYMPAKIGAFGREMLKRNIGVVVVGFP
ATPIIESRARFCLSAAHTKEILDTALKEIDEVGDLLQLKYSRHRLVP
Ligand information
Ligand IDPLS
InChIInChI=1S/C11H17N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2,9,13-15H,3-5H2,1H3,(H,16,17)(H2,18,19,20)/t9-/m0/s1
InChIKeyODVKKQWXKRZJLG-VIFPVBQESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CO)C(=O)O)O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O
ACDLabs 10.04O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CO
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CO)C(O)=O)c1O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CN[C@@H](CO)C(O)=O)c1O
FormulaC11 H17 N2 O8 P
Name[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE;
PYRIDOXYL-SERINE-5-MONOPHOSPHATE
ChEMBL
DrugBank
ZINCZINC000002047254
PDB chain7cqk Chain T Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7cqk Structural insights into the assembly and substrate selectivity of human SPT-ORMDL3 complex.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		Y176 G238 H263 D344 H347 M374 T376 K379
Binding residue
(residue number reindexed from 1)		Y132 G194 H219 D300 H303 M330 T332 K335
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:0005515 protein binding
GO:0016740 transferase activity
GO:0016746 acyltransferase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0006665 sphingolipid metabolic process
GO:0006686 sphingomyelin biosynthetic process
GO:0009058 biosynthetic process
GO:0030148 sphingolipid biosynthetic process
GO:0046511 sphinganine biosynthetic process
GO:0046512 sphingosine biosynthetic process
GO:0046513 ceramide biosynthetic process
GO:0060612 adipose tissue development
GO:1904504 positive regulation of lipophagy
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane
GO:0017059 serine palmitoyltransferase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7cqk, PDBe:7cqk, PDBj:7cqk
PDBsum7cqk
PubMed33558762
UniProtO15270|SPTC2_HUMAN Serine palmitoyltransferase 2 (Gene Name=SPTLC2)

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