Structure of PDB 8i85 Chain A Binding Site BS01

Receptor Information
>8i85 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 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 chain8i85 Chain A Residue 602 [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]
PDB8i85 Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Resolution2.17 Å
Binding residue
(original residue number in PDB)		R26 G28 Q29 F30 H31 V33 P73 R94 I210 D211 D213 E214
Binding residue
(residue number reindexed from 1)		R26 G28 Q29 F30 H31 V33 P73 R88 I204 D205 D207 E208
Annotation score5
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:8i85, PDBe:8i85, PDBj:8i85
PDBsum8i85
PubMed38114770
UniProtD2B3F1

[Back to BioLiP]