Structure of PDB 7oyf Chain A Binding Site BS06

Receptor Information
>7oyf Chain A (length=473) Species: 28049 (Acidothermus cellulolyticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MHRVMGIETEYGISVPHQPNANAMAASSQVVNAYAQARWDFELGLANVIL
TNGARLYVDHAHPEYSTPEVTNPRDAVLWDKAGERIMAEAARRAADLPMG
WTIQLYKNNTDNKGASYGCHENYLMNRSTPFADIVRHLIPFFVTRQVFCG
AGRVGIGADGRGEGFQLSQRADFFEVEVGLETTLKRPIINTRDEPHADPE
KYRRLHVIIGDANMSEIATYLKLGTTALVLAMIEDGFLSQDFSVESPVGA
LRAVSHDPTLRYQLRLHDGRRLTAVQLQMEYLEQARKYVEDRFGTDVDDM
TRDVLDRWETTLVRLADDPMQLSRDLDWVAKLSILEGYRQRENLPWSAHK
LQLVDLQYHDVRPDRGLYNRLVARGRMNLLVDEAAVRTAMHEPPNDTRAY
FRGRCLAKFGAEIAAASWDSVIFDLPGRDSLQRVPTLEPLRGTRAHVGDL
LDRCRSATELVAALTGGENLYFQ
Ligand information
Ligand IDKQB
InChIInChI=1S/3FH.Mg.H2O/h3*1H;;1H2/q;;;+4;/p-4
InChIKeyQUJZUQVZXBKESK-UHFFFAOYSA-J
SMILES
SoftwareSMILES
CACTVS 3.385O.F[Mg](F)F
OpenEye OEToolkits 2.0.7[O][Mg](F)(F)F
FormulaF3 Mg O
Nametrifluoromagnesate monohydrate
ChEMBL
DrugBank
ZINC
PDB chain7oyf Chain A Residue 617 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7oyf Structures of prokaryotic ubiquitin-like protein Pup in complex with depupylase Dop reveal the mechanism of catalytic phosphate formation.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		E8 Y92 D94 E99 H155 H241
Binding residue
(residue number reindexed from 1)		E8 Y57 D59 E64 H120 H206
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.-.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008233 peptidase activity
GO:0016787 hydrolase activity
GO:0016811 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides
GO:0046872 metal ion binding
Biological Process
GO:0010498 proteasomal protein catabolic process
GO:0019941 modification-dependent protein catabolic process
GO:0070490 protein pupylation

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7oyf, PDBe:7oyf, PDBj:7oyf
PDBsum7oyf
PubMed34789727
UniProtA0LU48|DOP_ACIC1 Depupylase (Gene Name=dop)

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