Structure of PDB 6o8e Chain B Binding Site BS03

Receptor Information
>6o8e Chain B (length=590) Species: 1395 ([Bacillus] caldotenax) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRFQLVAPYEPQGDQPQAIAKLVDGLRRGVKHQTLLGATGTGKTFTISNV
IAQVNKPTLVIAHNKTLAGQLYSELKEFFPHNAVEYFVSYYDYYQPEAYV
PQTDTYIEKDAKINDEIDKLRHSATSALFERRDVIIVASVSSIYGLGSPE
EYRELVVSLRVGMEIERNALLRRLVDIQYDRNDIDFRRGTFRVRGDVVEI
FPASRDEHSIRVEFFGDEIERIREVDALTGEVLGEREHVAIFPASHFVCR
EEKMRLAIQNIEQELEERLAELRAQGKLLEAQRLEQRTRYDLEMMREMGF
SSGIENYSRHLALRPPGSTPYTLLDYFPDDFLIIVDESHVTLPQLRGMYN
GDRARKQVLVDHGFRLPSALDNRPLTFEEFEQKINQIIYVSATPGPYELE
HSPGVVEQIIRPTGLLDPTIDVRPTKGQIDDLIGEIRERVERNERTLVTT
LTKKMAEDLTDYLKEAGIKVAYLHSEIKTLERIEIIRDLRLGKYDVLVGI
NLLREGLDIPEVSLVAILDADKEGFLRSERSLIQTIGRAARNANGHVIMY
ADTITKSMEIAIQETKRRRAIQEEYNRKHGIVPRTVKKEI
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 chain6o8e Chain B Residue 601 [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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PDB6o8e Mechanism of DNA Lesion Homing and Recognition by the Uvr Nucleotide Excision Repair System.
Resolution2.61 Å
Binding residue
(original residue number in PDB)		Y11 Q14 Q17 G42 G44 K45 P414 R543
Binding residue
(residue number reindexed from 1)		Y9 Q12 Q15 G40 G42 K43 P412 R541
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006289 nucleotide-excision repair
Cellular Component
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:6o8e, PDBe:6o8e, PDBj:6o8e
PDBsum6o8e
PubMed31549070
UniProtP56981|UVRB_BACCA UvrABC system protein B (Gene Name=uvrB)

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