Structure of PDB 6oif Chain U Binding Site BS02
Receptor Information
>6oif Chain U (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 U 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)
K93 Y189
Binding residue
(residue number reindexed from 1)
K43 Y139
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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