Structure of PDB 3uk6 Chain D Binding Site BS01

Receptor Information
>3uk6 Chain D (length=299) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAHSHIRGLDDALEPRQASQGMVGQLAARRAAGVVLEMIREGKIAGRAVL
IAGQPGTGKTAIAMGMAQALGPDTPFTAIAGSEIFSLEMSKTEALTQAFR
RSIGVRIVSLHEIDVINSRTQGFFSGDTGEIKSEVREQINAKVAEWIIPG
VLFIDEVHMLDIESFSFLNRALESDMAPVLIMATNRGITRIRGTSYQSPH
GIPIDLLDRLLIVSTTPYSEKDTKQILRIRCEEEDVEMSEDAYTVLTRIG
LETSLRYAIQLITAASLVCRKRKGTEVQVDDIKRVYSLFLDESRSTQYM
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 chain3uk6 Chain D Residue 1450 [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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PDB3uk6 Large-Scale Conformational Flexibility Determines the Properties of AAA+ TIP49 ATPases.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		A24 H25 H27 M46 V47 G80 T81 G82 K83 T84 A85 Y362 I370
Binding residue
(residue number reindexed from 1)		A2 H3 H5 M22 V23 G56 T57 G58 K59 T60 A61 Y218 I226
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008094 ATP-dependent activity, acting on DNA
GO:0016887 ATP hydrolysis activity

View graph for
Molecular Function
External links
PDB RCSB:3uk6, PDBe:3uk6, PDBj:3uk6
PDBsum3uk6
PubMed22748767
UniProtQ9Y230|RUVB2_HUMAN RuvB-like 2 (Gene Name=RUVBL2)

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