Structure of PDB 2vf7 Chain B Binding Site BS02

Receptor Information
>2vf7 Chain B (length=813) Species: 1299 (Deinococcus radiodurans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PDFPDGGFVQVRGARQHNLKDISVKVPRDALVVFTGVSGSGKSSLAFGTL
YAEAQRRYLESVSPYARRLFNQAGVPDVDAIDGLPPAVALQQARGTPTAR
SSVGSVTTLSNLLRMLYSRAGDYPPGQGIVYAEGFSPNTPEGACPECHGL
GRVYTVTEDSMVPDPSLTIRERAVAAWPQAWGGQNQRDILVTLGIDVDVP
WRELPEETRHWILFTDEQPVVPVYPGLTPAETQRALKKKMEPSYMGTFSS
ARRHVLHTFANTESASMKKRVQGYMISEECPLCHGKRLRQEALNVTFAGL
DITELSRLPLARVSELLRPYAEEREPGHAERVKNRPEQAIALQRMAADLV
KRLDVLLHLGLGYLGLDRSTPTLSPGELQRLRLATQLYSNLFGVVYVLDE
PSAGLHPADTEALLSALENLKRGGNSLFVVEHDLDVIRRADWLVDVGPEA
GEKGGEILYSGPPEGLKHVPESQTGQYLFADRHTEPHTPREPAGWLELNG
VTRNNLDNLDVRFPLGVMTSVTGVSGSGKSTLVSQALVDALAAHFGQGSA
RLGGDLAQITRLVRVDQKPIGRTPRSNMATYTGLFDQVRKLFAATPLAKK
RGYNAGRFSFNVKGGRCEHCQGEGWVMVPSVYAPCPVCHGTRYNAETLEV
EYRGKNIADVLALTVDEAHDFFADESAIFRALDTLREVGLGYLRLGQPAT
ELSGGEAQRIKLATELRRSGRGGTVYVLDEPTTGLHPADVERLQRQLVKL
VDAGNTVIAVEHKMQVVAASDWVLDIGPGAGEDGGRLVAQGTPAEVAQAA
GSVTAPYLRAALR
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 chain2vf7 Chain B Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vf7 Structural and mutational analyses of Deinococcus radiodurans UvrA2 provide insight into DNA binding and damage recognition by UvrAs.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H24 N25 G46 S47 G48 K49 S50 S51 R101 Q726 E730
Binding residue
(residue number reindexed from 1)		H17 N18 G39 S40 G41 K42 S43 S44 R94 Q697 E701
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0004518 nuclease activity
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006281 DNA repair
GO:0006289 nucleotide-excision repair
Cellular Component
GO:0005737 cytoplasm
GO:0009380 excinuclease repair complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2vf7, PDBe:2vf7, PDBj:2vf7
PDBsum2vf7
PubMed19368888
UniProtQ9RYW8

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