Structure of PDB 6o8e Chain A Binding Site BS03
Receptor Information
>6o8e Chain A (length=592) Species:
1395
([Bacillus] caldotenax) [
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EGRFQLVAPYEPQGDQPQAIAKLVDGLRRGVKHQTLLGATGTGKTFTISN
VIAQVNKPTLVIAHNKTLAGQLYSELKEFFPHNAVEYFVSYYDYYQPEAY
VPQTDTYIEKDAKINDEIDKLRHSATSALFERRDVIIVASVSSIYGLGSP
EEYRELVVSLRVGMEIERNALLRRLVDIQYDRNDIDFRRGTFRVRGDVVE
IFPASRDEHSIRVEFFGDEIERIREVDALTGEVLGEREHVAIFPASHFVC
REEKMRLAIQNIEQELEERLAELRAQGKLLEAQRLEQRTRYDLEMMREMG
FSSGIENYSRHLALRPPGSTPYTLLDYFPDDFLIIVDESHVTLPQLRGMY
NGDRARKQVLVDHGFRLPSALDNRPLTFEEFEQKINQIIYVSATPGPYEL
EHSPGVVEQIIRPTGLLDPTIDVRPTKGQIDDLIGEIRERVERNERTLVT
TLTKKMAEDLTDYLKEAGIKVAYLHSEIKTLERIEIIRDLRLGKYDVLVG
INLLREGLDIPEVSLVAILDADKEGFLRSERSLIQTIGRAARNANGHVIM
YADTITKSMEIAIQETKRRRAIQEEYNRKHGIVPRTVKKEIR
Ligand information
Ligand ID
ADP
InChI
InChI=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
InChIKey
XTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(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 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
Formula
C10 H15 N5 O10 P2
Name
ADENOSINE-5'-DIPHOSPHATE
ChEMBL
CHEMBL14830
DrugBank
DB16833
ZINC
ZINC000012360703
PDB chain
6o8e Chain A Residue 601 [
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Receptor-Ligand Complex Structure
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PDB
6o8e
Mechanism of DNA Lesion Homing and Recognition by the Uvr Nucleotide Excision Repair System.
Resolution
2.61 Å
Binding residue
(original residue number in PDB)
Y11 E12 P13 Q14 Q17 T41 G42 G44 K45 P414 R543
Binding residue
(residue number reindexed from 1)
Y10 E11 P12 Q13 Q16 T40 G41 G43 K44 P413 R542
Annotation score
5
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
PDBsum
6o8e
PubMed
31549070
UniProt
P56981
|UVRB_BACCA UvrABC system protein B (Gene Name=uvrB)
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