Structure of PDB 4nmn Chain B Binding Site BS02

Receptor Information
>4nmn Chain B (length=412) Species: 224324 (Aquifex aeolicus VF5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PCDESAERAVLGSMLEDPENIPLVLEYLKEEDFCIDEHKLLFRVLTNLWS
EGNKLDFVLIKDHLEKKPIDWLEELYEEAVSPDTLEEVCKIVKQRSAQRA
IIQLGIELIHKGKENKDFHTLIEEAQSRIFSIAESATSTQFYHVKDVAEE
VIELIYKFKSSDRLVTGLPSGFTELDLKTTGFHPGDLIILAARPGMGKTA
FMLSIIYNLAKDEGKPSAVFSLEMSKEQLVMRLLSMMSEVPLFKIRSGSI
SNEDLKKLEASAIELAKYDIYLDDTPALTTTDLRIRARKLRKEKEVEFVA
VDYLQLLRPPVRKSPRQEEVAEVSRNLKALAKELRIPVMALAQLSKRPQL
ADLRESGQIEQDADLILFLHRPEYYTPEEQGIAEVIIAKQRQGPTDIVKL
AFIKEYTKFANL
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 chain4nmn Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4nmn Nucleotide and partner-protein control of bacterial replicative helicase structure and function.
Resolution3.301 Å
Binding residue
(original residue number in PDB)		G209 G211 K212 T213 A214 R246 K430 T433
Binding residue
(residue number reindexed from 1)		G195 G197 K198 T199 A200 R232 K404 T407
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: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
GO:0032508 DNA duplex unwinding
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:4nmn, PDBe:4nmn, PDBj:4nmn
PDBsum4nmn
PubMed24373746
UniProtO67450

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