Structure of PDB 7mbw Chain B Binding Site BS01

Receptor Information
>7mbw Chain B (length=469) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATRIQAVYRDTGVEAYRDNPFIEALPPLQESVNSAASLKSSLQLTSSDLQ
KSRVIRAHTICRIPDDYFQPLGTHLLLSERISVMIRGGYVGRNPKTGDLQ
KHLQNGYERVQTGELETFRFEEQSLLLIGCSGSGKTTSLHRILATYPQVI
YHRELNVEQVVYLKIDCSHNGSLKEICLNFFRALDRALGSNYERRYGLKR
HGIETMLALMSQIANAHVLGLLVIDEIQHLSRSRSGGSQEMLNFFVTMVN
IIGVPVMLIGTPKAREIFEADFGAIFWDPIQQTQRGKPNQEWIAFTDNLW
QLQLLQRKDALLSDEVRDVWYELSQGVMDIVVKLFVLAQLRALALGNERI
TAGLLRQVYQDELKPVHPMLEALRSGIPERIARYSDLVVPEIDKRLIQLQ
LDIAAIQEQTPEEKALQELDTEDQRHLYLMLKEDYDSSLLIPTIKKAFSQ
NPTMTRQKLLPLVLQWLME
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain7mbw Chain B Residue 601 [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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PDB7mbw Structural basis for DNA targeting by the Tn7 transposon.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		P66 Y69 F70 Q71 G139 G141 K142 T143 T144 F311 M344 D345
Binding residue
(residue number reindexed from 1)		P64 Y67 F68 Q69 G132 G134 K135 T136 T137 F295 M328 D329
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006310 DNA recombination
GO:0032196 transposition

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:7mbw, PDBe:7mbw, PDBj:7mbw
PDBsum7mbw
PubMed35173349
UniProtP05846|TNSC_ECOLX Transposon Tn7 transposition protein TnsC (Gene Name=tnsC)

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