Structure of PDB 1xmv Chain A Binding Site BS02

Receptor Information
>1xmv Chain A (length=293) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DENKQKALAAALGQIEKQFGKGSIMRLGEDRSMDVETISTGSLSLDIALG
AGGLPMGRIVEIYGPESSGKTTLTLQVIAAAQREGKTCAFIDAEHALDPI
YARKLGVDIDNLLCSQPDTGEQALEICDALARSGAVDVIVVDSVAALTPK
AEIESQAMRKLAGNLKQSNTLLIFINQNALKFYASVRLDIRRIGAVKEGE
NVVGSETRVKVVKNKIAAPFKQAEFQILYGEGINFYGELVDLGVKEKLIE
KAGAWYSYKGEKIGQGKANATAWLKDNPETAKEIEKKVRELLL
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 chain1xmv Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xmv Crystal Structures of Escherichia coli RecA in Complex with MgADP and MnAMP-PNP(,).
Resolution1.9 Å
Binding residue
(original residue number in PDB)		S69 S70 G71 K72 T73 T74 D100 Y103 I262 Y264 G265
Binding residue
(residue number reindexed from 1)		S67 S68 G69 K70 T71 T72 D98 Y101 I227 Y229 G230
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003684 damaged DNA binding
GO:0003697 single-stranded DNA binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008094 ATP-dependent activity, acting on DNA
GO:0016887 ATP hydrolysis activity
GO:0140297 DNA-binding transcription factor binding
GO:0140664 ATP-dependent DNA damage sensor activity
Biological Process
GO:0000725 recombinational repair
GO:0006259 DNA metabolic process
GO:0006281 DNA repair
GO:0006310 DNA recombination
GO:0006974 DNA damage response
GO:0009432 SOS response
GO:0010212 response to ionizing radiation
GO:0019985 translesion synthesis
GO:0035825 homologous recombination
GO:0048870 cell motility
Cellular Component
GO:0005737 cytoplasm
GO:0009355 DNA polymerase V complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1xmv, PDBe:1xmv, PDBj:1xmv
PDBsum1xmv
PubMed15610008
UniProtP0A7G6|RECA_ECOLI Protein RecA (Gene Name=recA)

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