Structure of PDB 5rky Chain A Binding Site BS01

Receptor Information

>5rky 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/C12H14FNO/c1-14-11(15)12(6-7-12)8-9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H,14,15)

KIJYNTMPXZUXEI-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CNC(=O)C1(CC1)Cc2ccccc2F
ACDLabs 12.01	c1(c(cccc1)F)CC2(CC2)C(NC)=O

Formula

C12 H14 F N O

Name

1-[(2-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide

ZINC000335883577

PDB chain

5rky 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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PDB	5rky PanDDA analysis group deposition of ground-state model
Resolution	1.38 Å
Binding residue (original residue number in PDB)	P1340 F1341 V1345 Y1350 Y1395 I1403
Binding residue (residue number reindexed from 1)	P25 F26 V30 Y35 Y80 I88
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

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

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