Structure of PDB 7px9 Chain D Binding Site BS02

Receptor Information
>7px9 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 IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain7px9 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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PDB7px9 Structural basis of prokaryotic ubiquitin-like protein engagement and translocation by the mycobacterial Mpa-proteasome complex.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		D253 I254 G255 G296 C297 K299 T300 L301 I448 Y452 G516
Binding residue
(residue number reindexed from 1)		D140 I141 G142 G183 C184 K186 T187 L188 I313 Y317 G381
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
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Cellular Component
External links
PDB RCSB:7px9, PDBe:7px9, PDBj:7px9
PDBsum7px9
PubMed35022401
UniProtP9WQN5|ARC_MYCTU Proteasome-associated ATPase (Gene Name=mpa)

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