Structure of PDB 5lb3 Chain E Binding Site BS02

Receptor Information
>5lb3 Chain E (length=439) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDPERRVRSTLKKVFGFDSFKTPLQESATMAVVKGNKDVFVCMPTGAGKS
LCYQLPALLAKGITIVVSPLIALIQDQVDHLLTLKVRVSSLNSKLSAQER
KELLADLEREKPQTKILYITPEMAASSSFQPTLNSLVSRHLLSYLVVDEA
HCVSQWGHDFRPDYLRLGALRSRLGHAPCVALTATATPQVQEDVFAALHL
KKPVAIFKTPCFRANLFYDVQFKELISDPYGNLKDFCLKALGQEAGLSGC
GIVYCRTREACEQLAIELSCRGVNAKAYHAGLKASERTLVQNDWMEEKVP
VIVATISFVDKANVRFVAHWNIAKSMAGYYQESGRAGRDGKPSWCRLYYS
RNDRDQVSFLIRKEVAKLQEKRGNKASDKATIMAFDALVTFCEELGCRHA
AIAKYFGDALPACAKGCDHCQNPTAVRRRLEALERSSSW
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 chain5lb3 Chain E Residue 502 [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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PDB5lb3 Insights into the RecQ helicase mechanism revealed by the structure of the helicase domain of human RECQL5.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		F26 S28 F29 K30 Q34 T54 G55 G57 K58 S59
Binding residue
(residue number reindexed from 1)		F17 S19 F20 K21 Q25 T45 G46 G48 K49 S50
Annotation score5
Enzymatic activity
Enzyme Commision number 5.6.2.4: DNA 3'-5' helicase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0004386 helicase activity
GO:0005524 ATP binding
Biological Process
GO:0006310 DNA recombination

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5lb3, PDBe:5lb3, PDBj:5lb3
PDBsum5lb3
PubMed28100692
UniProtO94762|RECQ5_HUMAN ATP-dependent DNA helicase Q5 (Gene Name=RECQL5)

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