Structure of PDB 8vie Chain A Binding Site BS01

Receptor Information
>8vie Chain A (length=367) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IQCSQRMLSFSDALLSIIATVMILPVTHTEISPEQQFDRSVQRLLATRIA
VYLMTFLIVTVAWAAHTRLFQVVGKTDDTLALLNLACMMTITFLPYTFSL
MVTFPDVPLGIFLFCVCVIAIGVVQALIVGYAFHFPHLLSPQIQEPLSKE
RVEAFSDGVYAIVATLLILDICEDNVPDPKDVKERFSGSLVAALSATGPR
FLAYFGSFATVGLLWFAHHSLFLHVRKATRAMGLLNTLSLAFVGGLPLAY
QQTSAFARQPRDELERVRVSCTIIFLASIFQLAMWTTALLHQAETLQPSV
WFGGREHVLMFAKLALYPCASLLAFASTCLLSRFSVGIFHLMQIAVPCAF
LLLRLLVGLALATLRVL
Ligand information
Ligand IDA1AB0
InChIInChI=1S/C11H10N2/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-8H,(H2,12,13)
InChIKeyCHVKPWIABFICLK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Nc1ccnc(c1)c2ccccc2
ACDLabs 12.01Nc1ccnc(c1)c1ccccc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2cc(ccn2)N
FormulaC11 H10 N2
Name2-phenylpyridin-4-amine
ChEMBL
DrugBank
ZINC
PDB chain8vie Chain A 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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PDB8vie Structure of human TMEM175 in an inhibitor-bound state
Resolution3.52 Å
Binding residue
(original residue number in PDB)
A42 I46 G267
Binding residue
(residue number reindexed from 1)
A13 I17 G158
Annotation score1
External links
PDB RCSB:8vie, PDBe:8vie, PDBj:8vie
PDBsum8vie
PubMed
UniProtQ9BSA9|TM175_HUMAN Endosomal/lysosomal proton channel TMEM175 (Gene Name=TMEM175)

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