Structure of PDB 2nmv Chain A Binding Site BS03

Receptor Information
>2nmv Chain A (length=620) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRFELVKYQPQGDQPKAIEKLVKGIQEGKKHQTLLGATGTGKTFTVSNLI
KEVNKPTLVIAHNKTLAGQLYSEFKEFFPNNAVEYFVSYYDYYQPEAYVP
QTDTFIEKDASINDEIDKLRHSATSALFERRDVIIIASVSCIYGLGSPEE
YREMVVSLRTEMEIERNELLRKLVDIQYARNDIDFQRGTFRVRGDVVEIF
PASRDEHCVRVEFFGDEIERIREVDALTGEILGDRDHVAIFPASHFVTRA
EKMEKAIQNIEKELEEQLKVMHENGKLLEAQRLEQRTRYDLEMMREMGFC
SGIENYSRHLTLRPPGSTPYTLLDYFPDDFMIVVDESHVTIPQVRGMFNG
DQARKQVLVDHGFRLPSALDNRPLRFEEFEKHMHNIVYVSATPGPYEIEH
TDEMVEQIIRPTGLLDPLIDVRPIEGQIDDLIGEIQARIERNERVLVTTL
TKKMSEDLTDYLKEIGIKVNYLHSEIKTLERIEIIRDLRLGKYDVLVGIN
LLREGLDIPEVSLVAILDADKEGFLRSERSLIQTIGRAARNAEGRVIMYA
DKITKSMEIAINETKRRREQQERFNEEHGITPKTINKKERQKVVEQMEHE
MKEAAKALDFERAAELRDLL
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 chain2nmv Chain A Residue 662 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2nmv Damage detection by the UvrABC pathway: crystal structure of UvrB bound to fluorescein-adducted DNA
Resolution2.95 Å
Binding residue
(original residue number in PDB)		Y11 Q12 Q14 Q17 G42 G44 K45 F47 R543
Binding residue
(residue number reindexed from 1)		Y8 Q9 Q11 Q14 G39 G41 K42 F44 R540
Annotation score5
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0004518 nuclease activity
GO:0005524 ATP binding
GO:0009381 excinuclease ABC activity
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006281 DNA repair
GO:0006289 nucleotide-excision repair
GO:0009432 SOS response
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:2nmv, PDBe:2nmv, PDBj:2nmv
PDBsum2nmv
PubMed17097086
UniProtP37954|UVRB_BACSU UvrABC system protein B (Gene Name=uvrB)

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