Structure of PDB 7r2g Chain B Binding Site BS02

Receptor Information
>7r2g Chain B (length=351) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EQPGLCGLSNLGNTCFMNSAIQCLSNTPPLTEYFLNDKYQEELNFDNPLG
MRGEIAKSYAELIKQMWSGKFSYVTPRAFKTQVGRFAPQFSGYQQQDCQE
LLAFLLDGLHEDLNRIRKKPYIQLKDADGRPDKVVAEEAWENHLKRNDSI
IVDIFHGLFKSTLVCPECAKISVTFDPFCYLTLPLASKVKLKDCIELFTT
KEKLGAEDPWYCPNCKEHQQATKKLDLWSLPPVLVVHLKRFSRDKLDTLV
DFPINDLDMSEFLINPNAGPCRYNLIAVSNHYGGMGGGHYTAFAKNKDDG
KWYYFDDSSVSTASEDQIVSKAAYVLFYQRQDTFSGTGFFPLDRETLEHH
H
Ligand information
Ligand IDMIX
InChIInChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2
InChIKeyKKZJGLLVHKMTCM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
ACDLabs 10.04O=C2c1c(c(NCCNCCO)ccc1NCCNCCO)C(=O)c3c2c(O)ccc3O
OpenEye OEToolkits 1.5.0c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO
FormulaC22 H28 N4 O6
Name1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE;
MITOXANTRONE;
1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)ANTHRA-9,10-QUINONE
ChEMBLCHEMBL58
DrugBankDB01204
ZINCZINC000003794794
PDB chain7r2g Chain B Residue 1003 [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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PDB7r2g Mitoxantrone stacking does not define the active or inactive state of USP15 catalytic domain.
Resolution1.98 Å
Binding residue
(original residue number in PDB)		Y855 H862 Y877 D879
Binding residue
(residue number reindexed from 1)		Y282 H289 Y304 D306
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.19.12: ubiquitinyl hydrolase 1.
Gene Ontology
Molecular Function
GO:0004843 cysteine-type deubiquitinase activity
Biological Process
GO:0016579 protein deubiquitination

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7r2g, PDBe:7r2g, PDBj:7r2g
PDBsum7r2g
PubMed35605756
UniProtQ9Y4E8|UBP15_HUMAN Ubiquitin carboxyl-terminal hydrolase 15 (Gene Name=USP15)

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