Structure of PDB 7t21 Chain B Binding Site BS05

Receptor Information
>7t21 Chain B (length=448) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKVPPHSIEAEQSVLGGLMLDNERWDDVAERVVADDFYTRPHRHIFTEMA
RLQESGSPIDLITLAESLERQGQLDSVGGFAYLAELSKNTPSAANISAYA
DIVRERAVVREMISVANEIAEAGFDPQGRTSEDLLDLAESRVFKIAESRA
NKDEGPKNIADVLDATVARIEQLFQQPHDGVTGVNTGYDDLNKKTAGLQP
SDLIIVAARPSMGKTTFAMNLVENAAMLQDKPVLIFSLEMPSEQIMMRSL
ASLSRVDQTKIRTGQLDDEDWARISGTMGILLEKRNIYIDDSSGLTPTEV
RSRARRIAREHGGIGLIMIDYLQLMRVPALSDNRTLEIAEISRSLKALAK
ELNVPVVALSQLNRSLEQRADKRPVNSDLRESGSIEQDADLIMFIYRDEV
YHENSDLKGIAEIIIGKQRNGPIGTVRLTFNGQWSRFDNYAGPQYDDE
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 chain7t21 Chain C Residue 1001 [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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PDB7t21 Sequence of conformation changes of DnaB helicase during DNA unwinding and priming in Escherichia coli
Resolution5.4 Å
Binding residue
(original residue number in PDB)		Q441 R442 N443 G444 P445
Binding residue
(residue number reindexed from 1)		Q418 R419 N420 G421 P422
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003678 DNA helicase activity
GO:0004386 helicase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016853 isomerase activity
GO:0016887 ATP hydrolysis activity
GO:0042802 identical protein binding
GO:0043139 5'-3' DNA helicase activity
Biological Process
GO:0006260 DNA replication
GO:0006268 DNA unwinding involved in DNA replication
GO:0006269 DNA replication, synthesis of primer
GO:0006270 DNA replication initiation
GO:0010212 response to ionizing radiation
GO:0031297 replication fork processing
GO:0032508 DNA duplex unwinding
Cellular Component
GO:0005829 cytosol
GO:0030894 replisome
GO:0033202 DNA helicase complex
GO:1990077 primosome complex
GO:1990100 DnaB-DnaC complex
GO:1990156 DnaB-DnaG complex
GO:1990158 DnaB-DnaC-DnaT-PriA-PriB complex
GO:1990159 DnaB-DnaC-DnaT-PriA-PriC complex
GO:1990160 DnaB-DnaC-Rep-PriC complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7t21, PDBe:7t21, PDBj:7t21
PDBsum7t21
PubMed
UniProtP0ACB0|DNAB_ECOLI Replicative DNA helicase DnaB (Gene Name=dnaB)

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