Structure of PDB 7t20 Chain F Binding Site BS02

Receptor Information
>7t20 Chain F (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 F 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)		P233 S234 G236 K237 T238 T239 E262 M263 R271 T282 Q384 G455
Binding residue
(residue number reindexed from 1)		P209 S210 G212 K213 T214 T215 E238 M239 R247 T258 Q360 G431
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
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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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