Structure of PDB 6mdn Chain B Binding Site BS02
Receptor Information
>6mdn Chain B (length=707) Species:
10029
(Cricetulus griseus) [
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MAGRSMQAARCPTDELSLSNCAVVSEKDYQSGQHVIVRTSPNHKYIFTLR
THPSVVPGSVAFSLPQRKWAGLSIGQEIEVALYSFDKAKQCIGTMTIEID
FLQKKNIDSNPYDTDKMAAEFIQQFNNQAFSVGQQLVFSFNDKLFGLLVK
DIEAMRQKIEVGLVVGNSQVAFEKAENSSLNLIGKAKTQSIINPDWNFEK
MGIGGLDKEFSDIFRRAFASRVFPPEIVEQMGCKHVKGILLYGPPGCGKT
LLARQIGKMLNAREPKVVNGPEILNKYVGESEANIRKLFADAEEEQRRLG
ANSGLHIIIFDEIDAICKQRGSMAGSTGVHDTVVNQLLSKIDGVEQLNNI
LVIGMTNRPDLIDEALLRPGRLEVKMEIGLPDEKGRLQILHIHTARMRGH
QLLSADVDIKELAVETKNFSGAELEGLVRAAQSTAMNRHIIASVTRGDFL
ASLENDIKPAFGTNQEDYASYIMNGIIKWGDPVTRVLDDGELLVQQTKNS
DRTPLVSVLLEGPPHSGKTALAAKIAEESNFPFIKICSPDKMIGFSETAK
CQAMKKIFDDAYKSQLSCVVVDDIERLLDYVPIGPRFSNLVLQALLVLLK
KAPPQGRKLLIIGTTSRKDVLQEMEMLNAFSTTIHVPNIATGEQLLEALE
LLGNFKDKERTTIAQQVKGKKVWIGIKKLLMLIEMSLQMDPEYRVRKFLA
LLREEGA
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
6mdn Chain B Residue 802 [
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Receptor-Ligand Complex Structure
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PDB
6mdn
Structural principles of SNARE complex recognition by the AAA+ protein NSF.
Resolution
4.4 Å
Binding residue
(original residue number in PDB)
N505 G506 I507 I508 P545 G548 K549 T550 A551 K708
Binding residue
(residue number reindexed from 1)
N474 G475 I476 I477 P514 G517 K518 T519 A520 K677
Annotation score
5
Enzymatic activity
Enzyme Commision number
3.6.4.6
: vesicle-fusing ATPase.
Gene Ontology
Molecular Function
GO:0000149
SNARE binding
GO:0005524
ATP binding
GO:0016787
hydrolase activity
GO:0016887
ATP hydrolysis activity
GO:0017075
syntaxin-1 binding
GO:0019901
protein kinase binding
GO:0019905
syntaxin binding
GO:0030165
PDZ domain binding
GO:0035255
ionotropic glutamate receptor binding
GO:0042802
identical protein binding
GO:0044877
protein-containing complex binding
GO:0046872
metal ion binding
GO:0140545
ATP-dependent protein disaggregase activity
Biological Process
GO:0001921
positive regulation of receptor recycling
GO:0006813
potassium ion transport
GO:0006886
intracellular protein transport
GO:0006891
intra-Golgi vesicle-mediated transport
GO:0015031
protein transport
GO:0035494
SNARE complex disassembly
GO:0043001
Golgi to plasma membrane protein transport
GO:0045732
positive regulation of protein catabolic process
Cellular Component
GO:0005737
cytoplasm
GO:0005794
Golgi apparatus
GO:0005795
Golgi stack
GO:0005829
cytosol
GO:0005886
plasma membrane
GO:0030496
midbody
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:6mdn
,
PDBe:6mdn
,
PDBj:6mdn
PDBsum
6mdn
PubMed
30198481
UniProt
P18708
|NSF_CRIGR Vesicle-fusing ATPase (Gene Name=NSF)
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