Structure of PDB 7t20 Chain D Binding Site BS03

Receptor Information
>7t20 Chain D (length=447) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVPPHSIEAEQSVLGGLMLDNERWDDVAERVVADDFYTRPHRHIFTEMAR
LQESGSPIDLITLAESLERQGQLDSVGGFAYLAELSKNTPSAANISAYAD
IVRERAVVREMISVANEIAEAGFDPQGRTSEDLLDLAESRVFKIAESRAN
KDEGPKNIADVLDATVARIEQLFQQPHDGVTGVNTGYDDLNKKTAGLQPS
DLIIVAARPSMGKTTFAMNLVENAAMLQDKPVLIFSLEMPSEQIMMRSLA
SLSRVDQTKIRTGQLDDEDWARISGTMGILLEKRNIYIDDSSGLTPTEVR
SRARRIAREHGGIGLIMIDYLQLMRVPALSDNRTLEIAEISRSLKALAKE
LNVPVVALSQLNRSLEQRADKRPVNSDLRESGSIEQDADLIMFIYRDEVY
HENSDLKGIAEIIIGKQRNGPIGTVRLTFNGQWSRFDNYAGPQYDDE
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain7t20 Chain E 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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PDB7t20 Sequence of conformation changes of DnaB helicase during DNA unwinding and priming in Escherichia coli
Resolution4.7 Å
Binding residue
(original residue number in PDB)		K440 Q441 G444 P445
Binding residue
(residue number reindexed from 1)		K416 Q417 G420 P421
Annotation score3
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
View graph for
Cellular Component
External links
PDB RCSB:7t20, PDBe:7t20, PDBj:7t20
PDBsum7t20
PubMed
UniProtP0ACB0|DNAB_ECOLI Replicative DNA helicase DnaB (Gene Name=dnaB)

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