Structure of PDB 7k0k Chain A Binding Site BS02

Receptor Information
>7k0k Chain A (length=423) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLTVKEKEELIEEWQPEPLVPPVPKDHPALNYNIVSGPPSHKTVVNGKEC
INFASFNFLGLLDNPRVKAAALASLKKYGVGTCGPRGFYGTFDVHLDLED
RLAKFMKTEEAIIYSYGFATIASAIPAYSKRGDIVFVDRAACFAIQKGLQ
ASRSDIKLFKHNDMADLERLLKEQEIEDQKNPRKARVTRRFIVVEGLYMN
TGTICPLPELVKLKYKYKARIFLEESLSFGVLGEHGRGVTEHYGINIDDI
DLISANMENALASIGGFCCGRSFVIDHQRLSGQGYCFSASLPPLLAAAAI
EALNIMEENPGIFAVLKEKCGQIHKALQGISGLKVVGESLSPAFHLQLEE
STGSREQDVRLLQEIVDQCMNRSIALTQARYLEKEEKCLPPPSIRVVVTV
EQTEEELERAASTIKEVAQAVLL
Ligand information
Ligand IDVSD
InChIInChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17,20H,2-16,19H2,1H3/t17-/m0/s1
InChIKeyKBUNOSOGGAARKZ-KRWDZBQOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCC(=O)[C@H](CO)N
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)[CH](N)CO
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCC(=O)C(CO)N
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)[C@@H](N)CO
ACDLabs 12.01C(C(C(N)CO)=O)CCCCCCCCCCCCCC
FormulaC18 H37 N O2
Name3-Dehydrosphinganine;
(2S,6E)-2-amino-1-hydroxyoctadec-6-en-3-one
ChEMBL
DrugBank
ZINCZINC000056870932
PDB chain7k0k Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7k0k Structural insights into the regulation of human serine palmitoyltransferase complexes.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		P135 F138 C336 F337
Binding residue
(residue number reindexed from 1)		P85 F88 C286 F287
Annotation score5
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: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:1904504 positive regulation of lipophagy
GO:1904649 regulation of fat cell apoptotic process
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:7k0k, PDBe:7k0k, PDBj:7k0k
PDBsum7k0k
PubMed33558761
UniProtO15269|SPTC1_HUMAN Serine palmitoyltransferase 1 (Gene Name=SPTLC1)

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