Structure of PDB 6fws Chain B Binding Site BS03

Receptor Information
>6fws Chain B (length=683) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALTAALKAQIAAWYKALQEQIPDFIPRAPQRQMIADVAKTLAGEEGRHLA
IEAPTGVGKTLSYLIPGIAIAREEQKTLVVSTANVALQDQIYSKDLPLLK
KIIPDLKFTAAFGRGRYVCPRNLTALASTEPTQQDLLAFLDDELTPNNQE
EQKRCAKLKGDLDTYKWDGLRDHTDIAIDDDLWRRLSTCPFFVARREIQE
AEVVVANHALVMAAMESEAVLPDPKNLLLVLDEGHHLPDVARDALEMSAE
ITAPWYRLQLDLFTKLVATCMEQFRPKTIPPLAIPERLNAHCEELYELIA
SLNNILNLYMPAGQEAEHRFAMGELPDEVLEICQRLAKLTEMLRGLAELF
LNDLSEKDIVRLHRLILQMNRALGMFEAQSKLWRLASLAQSSGAPVTKWA
TREEREGQLHLWFHCVGIRVSDQLERLLWRSIPHIIVTSATLRSLNSFSR
LQEMSGLKEKAGDRFVALDSPFNHCEQGKIVIPRMRVEPSIDNEEQHIAE
MAAFFREQVESKKHLGMLVLFASGRAMQRFLDYVTDLRLMLLVQGDQPRY
RLVELHRKRVANGERSVLVGLQSFAEGLDLKGDLLSQVHIHKIAFPPIDS
PVVITEGEWLKSLNRYPFEVQSLPSASFNLIQQVGRLIRSHGCWGEVVIY
DKRLLTKNYGKRLLDALPVFPIEQPEVPEGIVK
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 chain6fws Chain B Residue 802 [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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PDB6fws DNA translocation mechanism of an XPD family helicase.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		F25 I26 R28 Q31 G57 G59 K60 T61 K95 D599 R659
Binding residue
(residue number reindexed from 1)		F24 I25 R27 Q30 G56 G58 K59 T60 K94 D579 R639
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
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:0016818 hydrolase activity, acting on acid anhydrides, in phosphorus-containing anhydrides
GO:0016853 isomerase activity
GO:0016887 ATP hydrolysis activity
GO:0033677 DNA/RNA helicase activity
GO:0043139 5'-3' DNA helicase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0006281 DNA repair
GO:0009432 SOS response
GO:0032508 DNA duplex unwinding
GO:0044806 G-quadruplex DNA unwinding

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6fws, PDBe:6fws, PDBj:6fws
PDBsum6fws
PubMed30520735
UniProtP27296|DING_ECOLI ATP-dependent DNA helicase DinG (Gene Name=dinG)

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