Structure of PDB 6m4n Chain E Binding Site BS01

Receptor Information
>6m4n Chain E (length=448) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YEAPAYHLILEGILILWIIRLLFSKTYKTVKEKEELIEEWQPEPLVPPVP
KDHPALNYNIVSGPPSHKTVVNGKECINFASFNFLGLLDNPRVKAAALAS
LKKYGVGTCGPRGFYGTFDVHLDLEDRLAKFMKTEEAIIYSYGFATIASA
IPAYSKRGDIVFVDRAACFAIQKGLQASRSDIKLFKHNDMADLERLLKEQ
EIEDQKNPRKARVTRRFIVVEGLYMNTGTICPLPELVKLKYKYKARIFLE
ESLSFGVLGEHGRGVTEHYGINIDDIDLISANMENALASIGGFCCGRSFV
IDHQRLSGQGYCFSASLPPLLAAAAIEALNIMEENPGIFAVLKEKCGQIH
KALQGISGLKVVGESLSPAFHLQLEESTGSREQDVRLLQEIVDQCMNRSI
ALTQARYLEKEEKCLPPPSIRVVVTVEQTEEELERAASTIKEVAQAVL
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 chain6m4n Chain F Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6m4n Structural insights into the assembly and substrate selectivity of human SPT-ORMDL3 complex.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		S338 A339
Binding residue
(residue number reindexed from 1)		S314 A315
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: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:6m4n, PDBe:6m4n, PDBj:6m4n
PDBsum6m4n
PubMed33558762
UniProtO15269|SPTC1_HUMAN Serine palmitoyltransferase 1 (Gene Name=SPTLC1)

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