Structure of PDB 4hhv Chain A Binding Site BS01

Receptor Information
>4hhv Chain A (length=103) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FSGPPVERCGVLSKWTNYIHGWQDRWVVLKNNALSYYKSEDETEYGCRGS
ICLSKAVITPHDFDECRFDISVNDSVWYLRAQDPDHRQQWIDAIEQHKTE
SGY
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain4hhv Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4hhv Crystal Structure of the Pleckstrin Homology Domain from the Ceramide Transfer Protein: Implications for Conformational Change upon Ligand Binding.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		K32 R43 Y54 K56
Binding residue
(residue number reindexed from 1)		K14 R25 Y36 K38
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4hhv, PDBe:4hhv, PDBj:4hhv
PDBsum4hhv
PubMed24260258
UniProtQ9Y5P4|CERT_HUMAN Ceramide transfer protein (Gene Name=CERT1)

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