Structure of PDB 8uq7 Chain B Binding Site BS01

Receptor Information

>8uq7 Chain B (length=75) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SVQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKI
GSLDNITHVPGGGNKKIETHKLTFR

Ligand information

InChI=1S/C16H11FN4/c17-13-2-1-11-8-20-15(7-12(11)16(13)18)21-6-4-10-3-5-19-9-14(10)21/h1-9H,18H2

KAXAUWZJVWGFDO-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385	Nc1c(F)ccc2cnc(cc12)n3ccc4ccncc34
ACDLabs 12.01	Nc1c2cc(ncc2ccc1F)n1ccc2ccncc21
OpenEye OEToolkits 2.0.7	c1cc(c(c2c1cnc(c2)n3ccc4c3cncc4)N)F

Formula

C16 H11 F N4

Name

6-fluoro-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine

PDB chain

8uq7 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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PDB	8uq7 Alzheimer's disease PHF complexed with PET ligand MK-6240
Resolution	2.31 Å
Binding residue (original residue number in PDB)	K353 I360
Binding residue (residue number reindexed from 1)	K49 I56
Annotation score	1

External links

PDB	RCSB:8uq7, PDBe:8uq7, PDBj:8uq7
PDBsum	8uq7
PubMed
UniProt	P10636\|TAU_HUMAN Microtubule-associated protein tau (Gene Name=MAPT)

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