Structure of PDB 3ktm Chain E Binding Site BS01

Receptor Information
>3ktm Chain E (length=177) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGLLAEPQIAMFCGRLNMHMNVQNGKWDSDPSGTKTCIDTKEGILQYCQE
VYPELQITNVVEANQPVTIQNWCKRGRKQCKTHPHFVIPYRCLVGEFVSD
ALLVPDKCKFLHQERMDVCETHLHWHTVAKETCSEKSTNLHDYGMLLPCG
IDKFRGVEFVCCPLAIEGRKLAAALEH
Ligand information
Ligand IDBU4
InChIInChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1
InChIKeyPUPZLCDOIYMWBV-SCSAIBSYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352C[C@@H](O)CCO
OpenEye OEToolkits 1.7.0C[C@H](CCO)O
CACTVS 3.352C[CH](O)CCO
OpenEye OEToolkits 1.7.0CC(CCO)O
FormulaC4 H10 O2
Name(3R)-butane-1,3-diol
ChEMBL
DrugBank
ZINCZINC000002041097
PDB chain3ktm Chain E Residue 6 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ktm Structure and biochemical analysis of the heparin-induced E1 dimer of the amyloid precursor protein.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		L189 A190
Binding residue
(residue number reindexed from 1)		L164 A165
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008201 heparin binding
GO:0046914 transition metal ion binding
Cellular Component
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:3ktm, PDBe:3ktm, PDBj:3ktm
PDBsum3ktm
PubMed20212142
UniProtP05067|A4_HUMAN Amyloid-beta precursor protein (Gene Name=APP)

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