Structure of PDB 8xvb Chain C Binding Site BS03

Receptor Information
>8xvb Chain C (length=246) Species: 2681603 (Escherichia phage Mu) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPEPPRFVETQTVKQIWTSMRFASLTESIAVVCGNPGVGKTEAAREYRRT
NNNVWMITITPSCASVLECLTELAFELGMNDAPRRKGPLSRALRRRLEGT
QGLVIIDEADHLGAEVLEELRLLQESTRIGLVLMGNHRVYSNMTGGNRTV
EFARLFSRIAKRTAINKTKKADVKAIADAWQINGEKELELLQQIAQKPGA
LRILNHSLRLAAMTAHGKGERVNEDYLRQAFRELDLDVDISTLLRN
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 chain8xvb Chain C Residue 401 [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]
PDB8xvb Elucidating the Architectural dynamics of MuB filaments in bacteriophage Mu DNA transposition.
Resolution3.4 Å
Binding residue
(original residue number in PDB)
F73 V74 G103 G105 K106 T107 E108 E174 L267 R268 N271
Binding residue
(residue number reindexed from 1)
F7 V8 G37 G39 K40 T41 E42 E108 L201 R202 N205
Annotation score5
External links
PDB RCSB:8xvb, PDBe:8xvb, PDBj:8xvb
PDBsum8xvb
PubMed39085263
UniProtP03763|TARGB_BPMU ATP-dependent target DNA activator B (Gene Name=B)

[Back to BioLiP]