Structure of PDB 6oif Chain E Binding Site BS01

Receptor Information
>6oif Chain E (length=282) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GQKRSLSREALQKDLDDNLFGQHLAKKIILNAVFGFINNPKPKKPLTLSL
HGWTGTGKNFVSKIIAENIYEGGLNSDYVHLFVATLHFPHASNITLYKDQ
LQLWIRGNVSACARSIFIFDEMDKMHAGLIDAIKPFLDYYDLVDGVSYQK
AMFIFLSNAGAERITDVALDFWRSGKQREDIKLKDIEHALSVSVFNNKNS
GFWHSSLIDRNLIDYFVPFLPLEYKHLKMCIRVEMQSRGYEIDEDIVSRV
AEEMTFFPKEERVFSDKGCKTVFTKLDYYYDD
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain6oif Chain C Residue 401 [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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PDB6oif The AAA + ATPase TorsinA polymerizes into hollow helical tubes with 8.5 subunits per turn.
Resolution4.4 Å
Binding residue
(original residue number in PDB)
F70 T104 G105 T106 G107 K108 N109 F110 L272 C319 K320
Binding residue
(residue number reindexed from 1)
F20 T54 G55 T56 G57 K58 N59 F60 L222 C269 K270
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008092 cytoskeletal protein binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0019894 kinesin binding
GO:0042802 identical protein binding
GO:0051082 unfolded protein binding
GO:0051787 misfolded protein binding
GO:0140662 ATP-dependent protein folding chaperone
Biological Process
GO:0000338 protein deneddylation
GO:0006979 response to oxidative stress
GO:0006996 organelle organization
GO:0006998 nuclear envelope organization
GO:0007155 cell adhesion
GO:0031175 neuron projection development
GO:0034504 protein localization to nucleus
GO:0036503 ERAD pathway
GO:0044319 wound healing, spreading of cells
GO:0045104 intermediate filament cytoskeleton organization
GO:0048489 synaptic vesicle transport
GO:0048499 synaptic vesicle membrane organization
GO:0051085 chaperone cofactor-dependent protein refolding
GO:0051584 regulation of dopamine uptake involved in synaptic transmission
GO:0061077 chaperone-mediated protein folding
GO:0071763 nuclear membrane organization
GO:1900244 positive regulation of synaptic vesicle endocytosis
GO:2000008 regulation of protein localization to cell surface
Cellular Component
GO:0005634 nucleus
GO:0005635 nuclear envelope
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005788 endoplasmic reticulum lumen
GO:0005789 endoplasmic reticulum membrane
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0008021 synaptic vesicle
GO:0012505 endomembrane system
GO:0016020 membrane
GO:0030141 secretory granule
GO:0030426 growth cone
GO:0030659 cytoplasmic vesicle membrane
GO:0031410 cytoplasmic vesicle
GO:0031965 nuclear membrane
GO:0042995 cell projection
GO:0043231 intracellular membrane-bounded organelle
GO:0045202 synapse
GO:0070062 extracellular exosome

View graph for
Molecular Function

View graph for
Biological Process

View graph for
Cellular Component
External links
PDB RCSB:6oif, PDBe:6oif, PDBj:6oif
PDBsum6oif
PubMed31332180
UniProtO14656|TOR1A_HUMAN Torsin-1A (Gene Name=TOR1A)

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