Structure of PDB 8t09 Chain A Binding Site BS01

Receptor Information
>8t09 Chain A (length=307) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKVRIYRMDGSYRSVELKHGNNTTVQQIMEGMRLSQETQQYFTIWICSEN
LSLQLKPYHKPLQHVRDWPEILAELTNLDPQRETPQLFLRRDVRLPLEVE
KQIEDPLAILILFDEARYNLLKGFYTAPDAKLITLASLLLQIVYGNYESK
KHKQGFLNEENLKSIVPVTKLKSKAPHWTNRILHEYKNLSTSEGVSKEMH
HLQRMFLQNCWEIPTYGAAFFTGQIFTKNHKVIPVYVGVNIKGLHLLNME
TKALLISLKYGCFMWQLGDTDTCFQIHSMENKMSFIVHTKQAGLVVKLLM
KLNGQLM
Ligand information
Ligand IDXHZ
InChIInChI=1S/C13H8O2/c1-2-9-3-5-11-10(7-9)4-6-13(15)12(11)8-14/h1,3-8,15H
InChIKeyZGPOBGPUMFLBIQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C#Cc1cc2ccc(O)c(C=O)c2cc1
OpenEye OEToolkits 2.0.7C#Cc1ccc2c(c1)ccc(c2C=O)O
CACTVS 3.385Oc1ccc2cc(ccc2c1C=O)C#C
FormulaC13 H8 O2
Name6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde
ChEMBL
DrugBank
ZINC
PDB chain8t09 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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PDB8t09 Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		Q473 K475 V512 F640 K720 L721 K724
Binding residue
(residue number reindexed from 1)		Q54 K56 V93 F221 K297 L298 K301
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:8t09, PDBe:8t09, PDBj:8t09
PDBsum8t09
PubMed37974623
UniProtO00522|KRIT1_HUMAN Krev interaction trapped protein 1 (Gene Name=KRIT1)

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