Structure of PDB 9b4f Chain B Binding Site BS01

Receptor Information
>9b4f Chain B (length=335) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PHTITLLSFTIVSLMYFAFTRDDSVPEDNIWRGILSVIFFFLIISVLAFP
NGPFTRPHPALWRMVFGLSVLYFLFLVFLLFLNFEQVKSLMYWLDPNLRY
ATREADVMEYAVNCHVITWERIISHFDIFAFGHFWGWAMKALLIRSYGLC
WTISITWELTELFFMHLLPNFAECWWDQVILDILLCNGGGIWLGMVVCRF
LEMRTYHWAFQRVAGVYLFMIIWQLTELNTFFLKHIFVFQASHPLSWGRI
LFIGGITAPTVRQYYAYLTDTQCKRVGTQCWVFGVIGFLEAIVCIKFGQD
LFSKTQILYVVLWLLCVAFTTFLCLYGMIWYAEHY
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain9b4f Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB9b4f Molecular insights into human phosphatidylserine synthase 1 reveal its inhibition promotes LDL uptake.
Resolution3.27 Å
Binding residue
(original residue number in PDB)		E197 E200 E212 D221
Binding residue
(residue number reindexed from 1)		E158 E161 E173 D182
Annotation score1
External links
PDB RCSB:9b4f, PDBe:9b4f, PDBj:9b4f
PDBsum9b4f
PubMed39208797
UniProtP48651|PTSS1_HUMAN Phosphatidylserine synthase 1 (Gene Name=PTDSS1)

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