Structure of PDB 7aoi Chain XL Binding Site BS02

Receptor Information
>7aoi Chain XL (length=521) Species: 5691 (Trypanosoma brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFNLPRERQILGGLHADWRTQMKRSGSILNDITPALPDTKRTEEQRRRVA
GWRPVVKLLGDQRLRIAIVGRMNSGKSSLFNLLRLEPTVPGRSNVVRDFD
GITRDSVEGQAQLEGMHFTIIDTPGMVQGRMVEEAFRTVETADAAIFVTA
VDEDIMPEELSLMQYLHLKHMPVVLLANKMDLIQEEEEEAVLDRYNSLGF
GNAIPFSARRKSGLEMLAAVLEPLYHIHAMHKVENDWDIEDLAMQGDESA
MEEIRERNCSDRFIRIAIVGRTNSGKSSLVNRLVGFERNRAVDEKNSTRD
PVELPCSYKGRKLKLIDTAGLARHRYRADRDFIGRIHGLSVNEIRFAHVV
IVVFDATEGHPNKYDMAVLHSVAAEGRPFLLCANKWDAVLDQSATAEAID
FKIKRQVREVKYSNAVVVSAHTGLNLTLLMDQALELYDKWNKRVRRAELT
RLWRKMEKSVVARIGRITQVNTRPPTFLLQLQTKNDSNTLPKALQEMMKN
TLVEEFDFRGVPIRLIQEVKD
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[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=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain7aoi Chain XL Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7aoi Interconnected assembly factors regulate the biogenesis of mitoribosomal large subunit.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		M116 N117 G119 K120 S121 S122 V140 R141 D142 G145 I146 T147 N222 K223 D225 L226 S251 A252 R253
Binding residue
(residue number reindexed from 1)		M72 N73 G75 K76 S77 S78 V96 R97 D98 G101 I102 T103 N178 K179 D181 L182 S207 A208 R209
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:7aoi, PDBe:7aoi, PDBj:7aoi
PDBsum7aoi
PubMed33576519
UniProtC9ZS56

[Back to BioLiP]