Structure of PDB 7pub Chain Cg Binding Site BS01

Receptor Information
>7pub Chain Cg (length=480) Species: 5702 (Trypanosoma brucei brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLAAMYMRPPVTCYTDACEAPVAMWDGAIPLKETRKLKNGVPVRTVSRTY
SHPPQLTPTQLSFNDINSMYCVGNDELIQFFPEGLGGRVFQTMPPGHPRG
FLYRKETHLLNLFVDKVQHWHTKRSVLSSLTNGRTGFIVDGPTGCGKSAL
MCQVVHFARSRNIVTLYVPDAKVWTHGEWCWPSTILPGFFDAPDAARSFL
KYFAVANRATLTSWKLRCTPKDLPTEQGERQPQNLYELCEWGHRAVAPAS
IDRQSVCVKFLMDELSEEKKLPVVIVVDGWNLFSHETHFRYPHPDFLRGL
ASFNESSTDIDLYPQELPRIPASRLSFVRGLNKMILSGDDPNKFFITCTT
RDFKPFDGISGFPNVETDRFANSLDEYAPYDPEKDSHFHPIQIGNFDEYE
YRSFLRFLINSGELAGLGWGPLWHASSDFERKLYKIGFLSGRNPQGVVDH
YHQELVWRYDYQRTRQKQYLLKRRMEGMSR
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 chain7pub 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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PDB7pub Mitoribosomal small subunit maturation involves formation of initiation-like complexes.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		R96 V97 Q99 T100 F109 L110 G152 C153 G154 K155 S156 A157 T358 R359 D360 F404 F412
Binding residue
(residue number reindexed from 1)		R88 V89 Q91 T92 F101 L102 G144 C145 G146 K147 S148 A149 T350 R351 D352 F396 F404
Annotation score4
External links