Structure of PDB 7ej7 Chain B Binding Site BS04

Receptor Information
>7ej7 Chain B (length=316) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ILSVDELQNYGINASDLQKLKSGGIYTVNTVLSTTRRHLCKIKGLSEVKV
EKIKEAAGKIIQVGFIPATVQLDIRQRVYSLSTGSKQLDSILGGGIMTMS
ITEVFGEFRCGKTQMSHTLCVTTQLPREMGGGEGKVAYIDTEGTFRPERI
KQIAEGYELDPESCLANVSYARALNSEHQMELVEQLGEELSSGDYRLIVV
DSIMANFRVDYCGRGELSERQQKLNQHLFKLNRLAEEFNVAVFLTNQVQS
DPGASALFASADGRKPIGGHVLAHASATRILLRKGRGDERVAKLQDSPDM
PEKECVYVIGEKGITD
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 chain7ej7 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

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PDB7ej7 Mechanisms of distinctive mismatch tolerance between Rad51 and Dmc1 in homologous recombination.
Resolution3.41 Å
Binding residue
(original residue number in PDB)		G126 K127 T128 Q129 R164 I324
Binding residue
(residue number reindexed from 1)		G111 K112 T113 Q114 R149 I309
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000150 DNA strand exchange activity
GO:0000166 nucleotide binding
GO:0003677 DNA binding
GO:0003690 double-stranded 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:0042030 ATPase inhibitor activity
GO:0140664 ATP-dependent DNA damage sensor activity
Biological Process
GO:0000709 meiotic joint molecule formation
GO:0000730 DNA recombinase assembly
GO:0006259 DNA metabolic process
GO:0006281 DNA repair
GO:0006312 mitotic recombination
GO:0007130 synaptonemal complex assembly
GO:0007131 reciprocal meiotic recombination
GO:0030435 sporulation resulting in formation of a cellular spore
GO:0042148 DNA strand invasion
GO:0051321 meiotic cell cycle
GO:0070192 chromosome organization involved in meiotic cell cycle
Cellular Component
GO:0000794 condensed nuclear chromosome
GO:0005634 nucleus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7ej7, PDBe:7ej7, PDBj:7ej7
PDBsum7ej7
PubMed34871438
UniProtP25453|DMC1_YEAST Meiotic recombination protein DMC1 (Gene Name=DMC1)

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