Structure of PDB 6t66 Chain F Binding Site BS01

Receptor Information
>6t66 Chain F (length=442) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IKVPPHSLEAEQSVIGGLLLDNERWDTVSEHVMTQDFYSRPHRLIFDGVK
SILEAGKPLDLITLSEYLEQREQLEDVGGFAYLADLAKNTPSAANINAYA
EIVAERALVRNLIGVANEIADAGYDPQGRNAEDLLDLAESKVFAIAEART
SENEGPKNVDSILERTLERIELLYKTPQDGVTGVNTGFTDLNKKTAGLQG
SDLIIVAARPSMGKTTFAMNLCENAAMEQDKPVLIFSLEMPAEQIMMRML
ASLSRVDQTKIRTGQLDDEDWARISSTMGILMEKKNMYIDDSSGLTPTEV
RSRARRIAREHGGLSLIMVDYLQLMRVPALTDNRTLEIAEISRSLKALAK
ELNVPVVALSQLNRSLEQRADKRPVNSDLRESGSIEQDADLIMFIYRDEV
YHPDSPLKGTAEIIIGKQRNGPIGSVRLTFQGHYSRFDNYAG
Ligand information
Ligand IDGDP
InChIInChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyQGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H15 N5 O11 P2
NameGUANOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL384759
DrugBankDB04315
ZINCZINC000008215481
PDB chain6t66 Chain E Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6t66 Study of the DnaB:DciA interplay reveals insights into the primary mode of loading of the bacterial replicative helicase.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		Q438 R439 G441 P442
Binding residue
(residue number reindexed from 1)		Q418 R419 G421 P422
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:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
Biological Process
GO:0006260 DNA replication
GO:0006268 DNA unwinding involved in DNA replication
GO:0006269 DNA replication, synthesis of primer
Cellular Component
GO:0005829 cytosol
GO:1990077 primosome complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6t66, PDBe:6t66, PDBj:6t66
PDBsum6t66
PubMed34107018
UniProtQ9KUY7

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