Structure of PDB 7pua Chain Cg Binding Site BS01

Receptor Information
>7pua Chain Cg (length=487) Species: 5702 (Trypanosoma brucei brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLKKSLAAMYMRPPVTCYTDACEAPVAMWDGAIPLKETRKLKNGVPVRTV
SRTYSHPPQLTPTQLSFNDINSMYCVGNDELIQFFPEGLGGRVFQTMPPG
HPRGFLYRKETHLLNLFVDKVQHWHTKRSVLSSLTNGRTGFIVDGPTGCG
KSALMCQVVHFARSRNIVTLYVPDAKVWTHGEWCWPSTILPGFFDAPDAA
RSFLKYFAVANRATLTSWKLRCTPKDLPTEQGERQPQNLYELCEWGHRAV
APASIDRQSVCVKFLMDELSEEKKLPVVIVVDGWNLFSHETHFRYPHPDF
LRGLASFNESSTDIDLYPQELPRIPASRLSFVRGLNKMILSGDDPNKFFI
TCTTRDFKPFDGISGFPNVETDRFANSLDEYAPYDPEKDSHFHPIQIGNF
DEYEYRSFLRFLINSGELAGLGWGPLWHASSDFERKLYKIGFLSGRNPQG
VVDHYHQELVWRYDYQRTRQKQYLLKRRMEGMSRGAS
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 chain7pua Chain Cg Residue 1000 [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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PDB7pua Mitoribosomal small subunit maturation involves formation of initiation-like complexes.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		R96 V97 Q99 F109 L110 T151 G152 C153 G154 K155 S156 A157 R359 D360 F412 Q453
Binding residue
(residue number reindexed from 1)		R92 V93 Q95 F105 L106 T147 G148 C149 G150 K151 S152 A153 R355 D356 F408 Q449
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003735 structural constituent of ribosome
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005763 mitochondrial small ribosomal subunit
GO:0005840 ribosome
GO:0031981 nuclear lumen
GO:0097014 ciliary plasm
GO:1990904 ribonucleoprotein complex

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:7pua, PDBe:7pua, PDBj:7pua
PDBsum7pua
PubMed35042777
UniProtQ585C2

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