Structure of PDB 7pxd Chain E Binding Site BS02

Receptor Information
>7pxd Chain E (length=483) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPSGYGVLLATHDDDTVDVFTSGRKMRLTCSPNIDAASLKKGQTVRLNEA
LTVVEAGTFEAVGEISTLREILADGHRALVVGHADEERVVWLADPLIPRK
LRPGDSLLVDTKAGYAFERIPKAEVEDLVLEEVPDVSYADIGGLSRQIEQ
IRDAVELPFLHKELYREYSLRPPKGVLLYGPPGCGKTLIAKAVANSLAKK
MAEVRGDDAHEAKSYFLNIKGPELLNKFVGETERHIRLIFQRAREKASEG
TPVIVFFDEMDSIFRTRGTGVSSDVETTVVPQLLSEIDGVEGLENVIVIG
ASNREDMIDPAILRPGRLDVKIKIERPDAEAAQDIYSKYLTEFLPVHADD
LAEFDGDRSACIKAMIEKVVDRMYAEIDDNRFLEVTYANGDKEVMYFKDF
NSGAMIQNVVDRAKKNAIKSVLETGQPGLRIQHLLDSIVDEFAENEDLPN
TTNPDDWARISGKKGERIVYIRTLVTSNLGQYL
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain7pxd Chain B Residue 701 [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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PDB7pxd Structural basis of prokaryotic ubiquitin-like protein engagement and translocation by the mycobacterial Mpa-proteasome complex.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		R427 R430
Binding residue
(residue number reindexed from 1)		R314 R317
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004176 ATP-dependent peptidase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0042802 identical protein binding
GO:0140035 ubiquitin-like protein reader activity
Biological Process
GO:0010498 proteasomal protein catabolic process
GO:0010499 proteasomal ubiquitin-independent protein catabolic process
GO:0019941 modification-dependent protein catabolic process
GO:0030682 symbiont-mediated perturbation of host defenses
GO:0043335 protein unfolding
GO:0051409 response to nitrosative stress
GO:0052164 symbiont defense to host-produced reactive oxygen species
GO:0071732 cellular response to nitric oxide
Cellular Component
GO:0000502 proteasome complex
GO:0005886 plasma membrane
GO:0009274 peptidoglycan-based cell wall
GO:0022623 proteasome-activating nucleotidase complex

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7pxd, PDBe:7pxd, PDBj:7pxd
PDBsum7pxd
PubMed35022401
UniProtP9WQN5|ARC_MYCTU Proteasome-associated ATPase (Gene Name=mpa)

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