Structure of PDB 6p07 Chain C Binding Site BS02
Receptor Information
>6p07 Chain C (length=301) Species:
7227
(Drosophila melanogaster) [
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VSVKGVEQKLVQLILDEIVEGGAKVEWTDIAGQDVAKQALQEMVILPSVR
PELFTGLRAPAKGLLLFGPPGNGKTLLARAVATECSATFLNISAASLTSK
YVGDGEKLVRALFAVARHMQPSIIFIDQVDSLLSERSSSEHEASRRLKTE
FLVEFDGLPGNPDGDRIVVLAATNRPQELDEAALRRFTKRVYVSLPDEQT
RELLLNRLLQKQGSPLDTEALRRLAKITDGYSGSDLTALAKDAALEPIRE
LNVEQVKCLDISAMRAITEQDFHSSLKRIRRSVAPQSLNSYEKWSQDYGD
I
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
6p07 Chain C Residue 801 [
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Receptor-Ligand Complex Structure
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PDB
6p07
An allosteric network in spastin couples multiple activities required for microtubule severing.
Resolution
3.2 Å
Binding residue
(original residue number in PDB)
A486 P525 G526 N527 G528 K529 T530 Q583 N629 L659 S689
Binding residue
(residue number reindexed from 1)
A31 P70 G71 N72 G73 K74 T75 Q128 N174 L204 S234
Annotation score
5
Enzymatic activity
Enzyme Commision number
5.6.1.1
: microtubule-severing ATPase.
Gene Ontology
Molecular Function
GO:0005524
ATP binding
GO:0008568
microtubule severing ATPase activity
GO:0016887
ATP hydrolysis activity
View graph for
Molecular Function
External links
PDB
RCSB:6p07
,
PDBe:6p07
,
PDBj:6p07
PDBsum
6p07
PubMed
31285604
UniProt
A0A0B4LHJ5
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