Structure of PDB 1g18 Chain A Binding Site BS02

Receptor Information
>1g18 Chain A (length=310) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTPDREKALELAVAQIEKSYGKGSVMRLGDEARQPISVIPTGSIALDVAL
GIGGLPRGRVIEIYGPESSGKTTVALHAVANAQAAGGVAAFIDAEHALDP
DYAKKLGVDTDSLLVSQPDTGEQALEIADMLIRSGALDIVVIDSVAALVP
RAELEGEMHVGLQARLMSQALRKMTGALNNSGTTAIFINQLTGGKALKFY
ASVRMDVRRVETLKDGTNAVGNRTRVKVVKNKCLAPFKQAEFDILYGKGI
SREGSLIDMGVDQGLIRKSGAWFTYEGEQLGQGKENARNFLVENADVADE
IEKKIKEKLG
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 chain1g18 Chain A Residue 502 [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]
PDB1g18 Crystal structures of Mycobacterium tuberculosis RecA and its complex with ADP-AlF(4): implications for decreased ATPase activity and molecular aggregation
Resolution3.8 Å
Binding residue
(original residue number in PDB)		G72 K73 T74 T75 Y104 Y265 G266
Binding residue
(residue number reindexed from 1)		G70 K71 T72 T73 Y102 Y246 G247
Annotation score5
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003697 single-stranded DNA binding
GO:0005524 ATP binding
GO:0008094 ATP-dependent activity, acting on DNA
GO:0016887 ATP hydrolysis activity
GO:0140664 ATP-dependent DNA damage sensor activity
Biological Process
GO:0006259 DNA metabolic process
GO:0006281 DNA repair

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1g18, PDBe:1g18, PDBj:1g18
PDBsum1g18
PubMed11121488
UniProtP9WHJ3|RECA_MYCTU Protein RecA (Gene Name=recA)

[Back to BioLiP]