Structure of PDB 1t4g Chain A Binding Site BS02

Receptor Information
>1t4g Chain A (length=299) Species: 2188 (Methanococcus voltae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTDLPGVGPSTAEKLVEAGYIDFMKIATATVGELTDIEGISEKAAAKMIM
GARDLCDLGFKSGIDLLKQRSTVWKLSTSSSELDSVLGGGLESQSVTEFA
GVFGSGKTQIMHQSCVNLQNPEFLFYDEEAVSKGEVAQPKAVYIDTEGTF
RPERIMQMAEHAGIDGQTVLDNTFVARAYNSDMQMLFAEKIEDLIQEGNN
IKLVVIDSLTSTFRNEYTGRGKLAERQQKLGRHMATLNKLADLFNCVVLV
TNQVSGHAATFRFFVRKGKGDKRVAKLYDSPHLPDAEAIFRITEKGIQD
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain1t4g Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1t4g Crystal Structure of Archaeal Recombinase RadA; A Snapshot of Its Extended Conformation.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G108 G110 K111 T112 Q113 R158 T316 E317
Binding residue
(residue number reindexed from 1)		G104 G106 K107 T108 Q109 R154 T293 E294
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003677 DNA binding
GO:0003684 damaged DNA binding
GO:0005524 ATP binding
GO:0008094 ATP-dependent activity, acting on DNA
GO:0016887 ATP hydrolysis activity
GO:0042802 identical protein binding
GO:0140664 ATP-dependent DNA damage sensor activity
Biological Process
GO:0006259 DNA metabolic process
GO:0006281 DNA repair
GO:0006310 DNA recombination
GO:0006974 DNA damage response

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1t4g, PDBe:1t4g, PDBj:1t4g
PDBsum1t4g
PubMed15304222
UniProtO73948|RADA_METVO DNA repair and recombination protein RadA (Gene Name=radA)

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