Structure of PDB 6oif Chain E Binding Site BS01
Receptor Information
>6oif Chain E (length=282) Species:
9606
(Homo sapiens) [
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GQKRSLSREALQKDLDDNLFGQHLAKKIILNAVFGFINNPKPKKPLTLSL
HGWTGTGKNFVSKIIAENIYEGGLNSDYVHLFVATLHFPHASNITLYKDQ
LQLWIRGNVSACARSIFIFDEMDKMHAGLIDAIKPFLDYYDLVDGVSYQK
AMFIFLSNAGAERITDVALDFWRSGKQREDIKLKDIEHALSVSVFNNKNS
GFWHSSLIDRNLIDYFVPFLPLEYKHLKMCIRVEMQSRGYEIDEDIVSRV
AEEMTFFPKEERVFSDKGCKTVFTKLDYYYDD
Ligand information
Ligand ID
ATP
InChI
InChI=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
InChIKey
ZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0
c1nc(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 3.341
Nc1ncnc2n(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
Formula
C10 H16 N5 O13 P3
Name
ADENOSINE-5'-TRIPHOSPHATE
ChEMBL
CHEMBL14249
DrugBank
DB00171
ZINC
ZINC000004261765
PDB chain
6oif Chain C Residue 401 [
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Receptor-Ligand Complex Structure
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PDB
6oif
The AAA + ATPase TorsinA polymerizes into hollow helical tubes with 8.5 subunits per turn.
Resolution
4.4 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 score
5
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
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Cellular Component
External links
PDB
RCSB:6oif
,
PDBe:6oif
,
PDBj:6oif
PDBsum
6oif
PubMed
31332180
UniProt
O14656
|TOR1A_HUMAN Torsin-1A (Gene Name=TOR1A)
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