Structure of PDB 8xvb Chain C Binding Site BS03
Receptor Information
>8xvb Chain C (length=246) Species:
2681603
(Escherichia phage Mu) [
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LPEPPRFVETQTVKQIWTSMRFASLTESIAVVCGNPGVGKTEAAREYRRT
NNNVWMITITPSCASVLECLTELAFELGMNDAPRRKGPLSRALRRRLEGT
QGLVIIDEADHLGAEVLEELRLLQESTRIGLVLMGNHRVYSNMTGGNRTV
EFARLFSRIAKRTAINKTKKADVKAIADAWQINGEKELELLQQIAQKPGA
LRILNHSLRLAAMTAHGKGERVNEDYLRQAFRELDLDVDISTLLRN
Ligand information
Ligand ID
ATP
InChI
InChI=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
InChIKey
ZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0
c1nc(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 3.341
Nc1ncnc2n(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
Formula
C10 H16 N5 O13 P3
Name
ADENOSINE-5'-TRIPHOSPHATE
ChEMBL
CHEMBL14249
DrugBank
DB00171
ZINC
ZINC000004261765
PDB chain
8xvb Chain C Residue 401 [
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Receptor-Ligand Complex Structure
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PDB
8xvb
Elucidating the Architectural dynamics of MuB filaments in bacteriophage Mu DNA transposition.
Resolution
3.4 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 score
5
External links
PDB
RCSB:8xvb
,
PDBe:8xvb
,
PDBj:8xvb
PDBsum
8xvb
PubMed
39085263
UniProt
P03763
|TARGB_BPMU ATP-dependent target DNA activator B (Gene Name=B)
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