Structure of PDB 9fci Chain D Binding Site BS01

Receptor Information
>9fci Chain D (length=299) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLGNTSYLNSILQVLYFCPGFKSGVKHLFNIISRKKEALASYELICSLQS
LIISVEQLQASQPRRLLNTLRELNPMYELQHDAQEVLQCILGNIQETCQL
LKKEGFELVEKLFQGQLVLRTRCLECESLTERREDFQDISVPVQEDMKTL
RWAISQFASVERIVGEDKYFCENCHHYTEAERSLLFDKMPEVITIHLKCF
AASGLSKINTPLLTPLKLSLEEWSTKPTNDSYGLFAVVMHSGITISSGHY
TASVKVTEGKWLLFDDSEVKVTEEKDFLNSLSPSTSPTSTPYLLFYKKL
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain9fci Chain D 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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PDB9fci Structural and Biochemical Insights into the Mechanism of Action of the Clinical USP1 Inhibitor, KSQ-4279.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		C440 C443 C506 C509
Binding residue
(residue number reindexed from 1)		C123 C126 C171 C174
Annotation score4
External links
PDB RCSB:9fci, PDBe:9fci, PDBj:9fci
PDBsum9fci
PubMed39190802
UniProtO94782|UBP1_HUMAN Ubiquitin carboxyl-terminal hydrolase 1 (Gene Name=USP1)

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