Structure of PDB 9fcj Chain D Binding Site BS01

Receptor Information
>9fcj Chain D (length=312) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VGLNNLGNTSYLNSILQVLYFCPGFKSGVKHLFNIISRKKYELICSLQSL
IISVEQLQASFLLNPEKYTDELATQPRRLLNTLRELNPMLQHDAQEVLQC
ILGNIQETCQLLKKGFELVEKLFQGQLVLRTRCLECESLTERREDFQDIS
VPVQEDMKTLRWAISQFASVERIVGEDKYFCENCHHYTEAERSLLFDKMP
EVITIHLKCFAASGLSKINTPLLTPLKLSLEEWSTKPTNDSYGLFAVVMH
SGITISSGHYTASVKVTKEYEGKWLLFDDSEVKVTEEKDFLNSLSPSTSP
TSTPYLLFYKKL
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 chain9fcj Chain D Residue 1000 [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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PDB9fcj Structural and Biochemical Insights into the Mechanism of Action of the Clinical USP1 Inhibitor, KSQ-4279.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		C440 C443 C506 C509
Binding residue
(residue number reindexed from 1)		C133 C136 C181 C184
Annotation score4
External links
PDB RCSB:9fcj, PDBe:9fcj, PDBj:9fcj
PDBsum9fcj
PubMed39190802
UniProtO94782|UBP1_HUMAN Ubiquitin carboxyl-terminal hydrolase 1 (Gene Name=USP1)

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