Structure of PDB 5s8h Chain A Binding Site BS01

Receptor Information

>5s8h Chain A (length=119) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

YDIQAWKKQCEELLNLIFQCEDSEPFRQPVDLLEYPDYRDIIDTPMDFAT
VRETLEAGNYESPMELCKDVRLIFSNSKAYTPSKRSRIYSMSLRLSAFFE
EHISSVLSDYKSALRFHKR

Ligand information

InChI=1S/C6H7NO/c1-5-3-2-4-7-6(5)8/h2-4H,1H3,(H,7,8)

MVKDNXIKAWKCCS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	Cc1cccnc1O
ACDLabs 12.01	c1nc(O)c(cc1)C

Formula

C6 H7 N O

Name

3-methylpyridin-2-ol;
(R)-N-[2-[1-(AMINOIMINOMETHYL)-3-PIPERIDINYL]-1-OXOETHYL]-4-(PHENYLETHYNYL)-L-PHENYLALANINE METHYL ESTER

ZINC000008580061

PDB chain

5s8h Chain A Residue 1501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5s8h XChem group deposition
Resolution	1.29 Å
Binding residue (original residue number in PDB)	V1345 Y1350 S1392 Y1395 I1403
Binding residue (residue number reindexed from 1)	V30 Y35 S77 Y80 I88
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:5s8h, PDBe:5s8h, PDBj:5s8h
PDBsum	5s8h
PubMed
UniProt	Q8WWQ0\|PHIP_HUMAN PH-interacting protein (Gene Name=PHIP)

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