Structure of PDB 6oif Chain U Binding Site BS02

Receptor Information
>6oif Chain U (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 U 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)
K93 Y189
Binding residue
(residue number reindexed from 1)
K43 Y139
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

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Molecular Function

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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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