Structure of PDB 7pxb Chain D Binding Site BS01

Receptor Information
>7pxb Chain D (length=452) 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
MAKSYFLNIKGPELLNKFVGETERHIRLIFQRAREKASEGTPVIVFFDEM
DSIFTTVVPQLLSEIDGVEGLENVIVIGASNREDMIDPAILRPGRLDVKI
KIERPDAEAAQDIYSKYLTEFLPVHADDLAEFDGDRSACIKAMIEKVVDR
MYAEIDDNRFLEVTYANGDKEVMYFKDFNSGAMIQNVVDRAKKNAIKSVL
ETGQPGLRIQHLLDSIVDEFAENEDLPNTTNPDDWARISGKKGERIVYIR
TL
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 chain7pxb Chain D 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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PDB7pxb 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)		I254 C297 G298 T300 L301 E372 N416 I448 Y452 G516 Q520
Binding residue
(residue number reindexed from 1)		I141 C184 G185 T187 L188 E249 N281 I313 Y317 G381 Q385
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:7pxb, PDBe:7pxb, PDBj:7pxb
PDBsum7pxb
PubMed35022401
UniProtP9WQN5|ARC_MYCTU Proteasome-associated ATPase (Gene Name=mpa)

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