Structure of PDB 6oq3 Chain A Binding Site BS01

Receptor Information
>6oq3 Chain A (length=310) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPYEKVRIYRMDGSYRSVELKHGNNTTVQQIMEGMRLSQETQQYFTIWIC
SENLSLQLKPYHKPLQHVRDWPEILAELTNLDPQRETPQLFLRRDVRLPL
EVEKQIEDPLAILILFDEARYNLLKGFYTAPDAKLITLASLLLQIVYGNY
ESKKHKQGFLNEENLKSIVPVTKLKSKAPHWTNRILHEYKNLSTSEGVSK
EMHHLQRMFLQNCWEIPTYGAAFFTGQIFTKNHKVIPVYVGVNIKGLHLL
NMETKALLISLKYGCFMWQLGDTDTCFQIHSMENKMSFIVHTKQAGLVVK
LLMKLNGQLM
Ligand information
Ligand ID7WO
InChIInChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H
InChIKeyNTCCNERMXRIPTR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)ccc(c2C=O)O
ACDLabs 12.01c2ccc1c(C=O)c(ccc1c2)O
CACTVS 3.385Oc1ccc2ccccc2c1C=O
FormulaC11 H8 O2
Name2-hydroxynaphthalene-1-carbaldehyde
ChEMBLCHEMBL3265255
DrugBank
ZINCZINC000000157162
PDB chain6oq3 Chain A Residue 801 [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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PDB6oq3 Inhibition of the HEG1-KRIT1 interaction increases KLF4 and KLF2 expression in endothelial cells
Resolution1.85 Å
Binding residue
(original residue number in PDB)		Q473 F640 L721
Binding residue
(residue number reindexed from 1)		Q57 F224 L301
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:6oq3, PDBe:6oq3, PDBj:6oq3
PDBsum6oq3
PubMed
UniProtO00522|KRIT1_HUMAN Krev interaction trapped protein 1 (Gene Name=KRIT1)

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