Structure of PDB 7fvm Chain A Binding Site BS01

Receptor Information
>7fvm Chain A (length=121) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYDIQAWKKQCEELLNLIFQCEDSEPFRQPVDLLEYPDYRDIIDTPMDFA
TVRETLEAGNYESPMELCKDVRLIFSNSKAYTPSKRSRIYSMSLRLSAFF
EEHISSVLSDYKSALRFHKRN
Ligand information
Ligand IDZP5
InChIInChI=1S/C13H14N4O4/c18-12(10-2-1-8-20-10)16-4-6-17(7-5-16)13(19)14-11-3-9-21-15-11/h1-3,8-9H,4-7H2,(H,14,15,19)
InChIKeyJFRDDDWDJJFTRC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O=C(Nc1ccon1)N2CCN(CC2)C(=O)c3occc3
OpenEye OEToolkits 2.0.7c1cc(oc1)C(=O)N2CCN(CC2)C(=O)Nc3ccon3
ACDLabs 12.01O=C(Nc1ccon1)N1CCN(CC1)C(=O)c1ccco1
FormulaC13 H14 N4 O4
Name4-(furan-2-carbonyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain7fvm Chain A Residue 1901 [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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PDB7fvm PanDDA analysis group deposition
Resolution1.26 Å
Binding residue
(original residue number in PDB)		P1340 D1346 Y1350 S1392 Y1395 T1396 I1403
Binding residue
(residue number reindexed from 1)		P26 D32 Y36 S78 Y81 T82 I89
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7fvm, PDBe:7fvm, PDBj:7fvm
PDBsum7fvm
PubMed
UniProtQ8WWQ0|PHIP_HUMAN PH-interacting protein (Gene Name=PHIP)

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