Structure of PDB 8t7v Chain A Binding Site BS01

Receptor Information
>8t7v 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 IDZTA
InChIInChI=1S/C15H10O3/c16-9-13-12-8-11(15-2-1-7-18-15)4-3-10(12)5-6-14(13)17/h1-9,17H
InChIKeyVJXXMWQMXRJRKS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1ccc2ccc(cc2c1C=O)c3occc3
ACDLabs 12.01O=Cc1c2cc(ccc2ccc1O)c1ccco1
OpenEye OEToolkits 2.0.7c1cc(oc1)c2ccc3ccc(c(c3c2)C=O)O
FormulaC15 H10 O3
Name(7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde
ChEMBL
DrugBank
ZINC
PDB chain8t7v Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8t7v Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		Q473 K475 V512 K720 L721 K724
Binding residue
(residue number reindexed from 1)		Q57 K59 V96 K300 L301 K304
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:8t7v, PDBe:8t7v, PDBj:8t7v
PDBsum8t7v
PubMed37974623
UniProtO00522|KRIT1_HUMAN Krev interaction trapped protein 1 (Gene Name=KRIT1)

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