Structure of PDB 1nsf Chain A Binding Site BS01

Receptor Information
>1nsf Chain A (length=247) Species: 10029 (Cricetulus griseus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPAFGTNQEDYASYIMNGIIKWGDPVTRVLDDGELLVQQTKNSDRTPLVS
VLLEGPPHSGKTALAAKIAEESNFPFIKICSPDKMIGFSETAKCQAMKKI
FDDAYKSQLSCVVVDDIERLLDYVPIGPRFSNLVLQALLVLLKKAPPQGR
KLLIIGTTSRKDVLQEMEMLNAFSTTIHVPNIATGEQLLEALELLGNFKD
KERTTIAQQVKGKKVWIGIKKLLMLIEMSLQMDPEYRVRKFLALLRE
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 chain1nsf Chain A Residue 858 [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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PDB1nsf Structure of the ATP-dependent oligomerization domain of N-ethylmaleimide sensitive factor complexed with ATP.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		N505 G506 I507 I508 V514 P545 H546 G548 K549 T550 A551 L552 I707 K708
Binding residue
(residue number reindexed from 1)		N17 G18 I19 I20 V26 P57 H58 G60 K61 T62 A63 L64 I219 K220
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) K549 T550 D603 D604 K631 K708
Catalytic site (residue number reindexed from 1) K61 T62 D115 D116 K143 K220
Enzyme Commision number 3.6.4.6: vesicle-fusing ATPase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0035494 SNARE complex disassembly

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Molecular Function
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Biological Process
External links
PDB RCSB:1nsf, PDBe:1nsf, PDBj:1nsf
PDBsum1nsf
PubMed9731775
UniProtP18708|NSF_CRIGR Vesicle-fusing ATPase (Gene Name=NSF)

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