Structure of PDB 7pxd Chain E Binding Site BS03

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 E 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)		G255 P295 G296 C297 G298 K299 T300 L301 N416 I448 Y452 G516 Q520
Binding residue
(residue number reindexed from 1)		G142 P182 G183 C184 G185 K186 T187 L188 N303 I335 Y339 G403 Q407
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
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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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