Structure of PDB 6hiv Chain Cg Binding Site BS01

Receptor Information
>6hiv Chain Cg (length=482) 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
YHQELVWRYDYQRTRQKQYLLKRRMEGMSRGA
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 chain6hiv Chain Cg Residue 501 [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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PDB6hiv Evolutionary shift toward protein-based architecture in trypanosomal mitochondrial ribosomes.
Resolution7.8 Å
Binding residue
(original residue number in PDB)		R96 V97 G108 F109 L110 G152 C153 G154 K155 S156 A157 T358 R359 P452
Binding residue
(residue number reindexed from 1)		R88 V89 G100 F101 L102 G144 C145 G146 K147 S148 A149 T350 R351 P444
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:6hiv, PDBe:6hiv, PDBj:6hiv
PDBsum6hiv
PubMed30213880
UniProtQ585C2

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