Structure of PDB 5mpb Chain L Binding Site BS01

Receptor Information
>5mpb Chain L (length=388) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EQEAHNKALNQFKRKLLEHRRYDDQLKQRRQNIRDLEKLYDKTENDIKAL
QSIGQLIGEVMKELSEEKYIVKASSGPRYIVGVRNSVDRSKLKKGVRVTL
DITTLTIMRILPRETDPLVYNMTSFEQGEITFDGIGGLTEQIRELREVIE
LPLKNPEIFQRVGIKPPKGVLLYGPPGTGKTLLAKAVAATIGANFIFSPA
SGIVDKYIGESARIIREMFAYAKEHEPCIIFMDEVDAIGGRRFSEGTSAD
REIQRTLMELLTQMDGFDNLGQTKIIMATNRPDTLDPALLRPGRLDRKVE
IPLPNEAGRLEIFKIHTAKVKKTGEFDFEAAVKMSDGFNGADIRNCATEA
GFFAIRDDRDHINPDDLMKAVRKVAEVKKLEGTIEYQK
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain5mpb Chain L Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5mpb Structural insights into the functional cycle of the ATPase module of the 26S proteasome.
Resolution7.8 Å
Binding residue
(original residue number in PDB)		I183 G184 G225 T226 G227 K228 T229
Binding residue
(residue number reindexed from 1)		I135 G136 G177 T178 G179 K180 T181
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0019904 protein domain specific binding
GO:0031625 ubiquitin protein ligase binding
GO:0036402 proteasome-activating activity
Biological Process
GO:0006289 nucleotide-excision repair
GO:0010604 positive regulation of macromolecule metabolic process
GO:0032968 positive regulation of transcription elongation by RNA polymerase II
GO:0036503 ERAD pathway
GO:0043161 proteasome-mediated ubiquitin-dependent protein catabolic process
GO:0045899 positive regulation of RNA polymerase II transcription preinitiation complex assembly
GO:0070682 proteasome regulatory particle assembly
GO:1901800 positive regulation of proteasomal protein catabolic process
Cellular Component
GO:0000502 proteasome complex
GO:0005634 nucleus
GO:0008540 proteasome regulatory particle, base subcomplex
GO:0031597 cytosolic proteasome complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5mpb, PDBe:5mpb, PDBj:5mpb
PDBsum5mpb
PubMed28115689
UniProtP53549|PRS10_YEAST 26S proteasome subunit RPT4 (Gene Name=RPT4)

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