Structure of PDB 6l3g Chain B Binding Site BS02

Receptor Information
>6l3g Chain B (length=413) Species: 2302925 (Bacteroides sp. AF32-8BH) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DMILTEEMQKIMNLIQDDENNVFVTGKAGSGKTTFLKYLIEKSGKNCIVA
APTGIAAINAGGVTLHSLFGIPFGPITPYDRLENKFSEYKVELLLKMELL
IIDEISMVRPDILDTIDRKLRWVYESDEPFGGVQVVMFGDLFQLPPVTKK
QEREILSDFYDGFFFFNALVFKRTGFHIVELTKIFRQTEPEFINVLNNIR
NYQVTSDELDLLSELKDRKINEYIHICTHKADVEKINADKLGEQEIRNYD
IVIKDKFPESSIPCDLHLKLRVGARVMSLVNDSLKGYYNGMLGIVTALED
NVITVRMDNGRTIKFERYTWSNTEIGSCTQFPLTLAWAITIHKSQGLTFD
KIIIHVSHTFCPGQLYVALSRCRTLEGIVSDAFITKQMIIPEYALIDFER
AYKSEGNYYGKRL
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 chain6l3g Chain B Residue 501 [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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PDB6l3g Structural basis for DNA unwinding at forked dsDNA by two coordinating Pif1 helicases.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		I5 G31 S32 G33 K34 T35 T36 F187 R188 R392
Binding residue
(residue number reindexed from 1)		I3 G29 S30 G31 K32 T33 T34 F185 R186 R373
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003678 DNA helicase activity
GO:0004386 helicase activity
GO:0046872 metal ion binding
Biological Process
GO:0000723 telomere maintenance
GO:0006281 DNA repair
GO:0032508 DNA duplex unwinding

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6l3g, PDBe:6l3g, PDBj:6l3g
PDBsum6l3g
PubMed31772234
UniProtA0A373G551

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