Structure of PDB 8i86 Chain A Binding Site BS01

Receptor Information
>8i86 Chain A (length=280) Species: 2001 (Streptosporangium roseum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGILQANRVLLSRLLPGVEPEGLTVRHGQFHQVVIASDRVVCLPRTAAAA
ARLPRRAAVMRVLAGLDLGCRTPRPLCEGSLPFLVLSRVPGAPLEADALE
DSKVAEVVAAQYVTLLSGLASAGADEKVRAALPAPQGRWRQFAADVRAEL
FPLMSDGGCRQAERELAALDSLPDITEAVVHGNLGAENVLWVRDDGLPRL
SGVIDWDEVSIGDPAEDLAAIGAGYGKDFLDQVLTLGGWSDRRMATRIAT
IRATFALQQALSACRDGDEEELADGLTGYR
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 chain8i86 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8i86 Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Resolution2.23 Å
Binding residue
(original residue number in PDB)		R26 H27 G28 Q29 F30 H31 P73 R94 V95 I210 D211 D213
Binding residue
(residue number reindexed from 1)		R26 H27 G28 Q29 F30 H31 P73 R88 V89 I204 D205 D207
Annotation score3
Enzymatic activity
Enzyme Commision number 2.7.1.103: viomycin kinase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0005525 GTP binding
GO:0016301 kinase activity
GO:0050394 viomycin kinase activity
Biological Process
GO:0016310 phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8i86, PDBe:8i86, PDBj:8i86
PDBsum8i86
PubMed38114770
UniProtD2B3F1

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