Structure of PDB 5z6r Chain A Binding Site BS01

Receptor Information
>5z6r Chain A (length=273) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLANLIMNEIVDNGTAVKFDDIAGQDLAKQALQEIVILPSLRPELFTGLR
APARGLLLFGPPGNGKTMLAKAVAAESNATFFNISAASLTSKKLVRALFA
VARELQPSIIFIDQVDSLLCRRLKTEFLIEFDGVQSAGDDRVLVMGATNR
PQELDEAVLRRFIKRVYVSLPNEETRLLLLKNLLCKQGSPLTQKELAQLA
RMTDGYSGSDLTALAKDAALGPIRELKPEQVKNMSASEMRNIRLSDFTES
LKKIKRSVSPQTLEAYIRWNKDF
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 chain5z6r Chain A Residue 701 [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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PDB5z6r The Aaa Family Protein Spastin Severs A Microtubule
Resolution3.0 Å
Binding residue
(original residue number in PDB)		I344 A345 G385 N386 G387 K388 T389 M390 N487 L517 G546 S547
Binding residue
(residue number reindexed from 1)		I22 A23 G63 N64 G65 K66 T67 M68 N149 L179 G208 S209
Annotation score5
Enzymatic activity
Enzyme Commision number 5.6.1.1: microtubule-severing ATPase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity

View graph for
Molecular Function
External links
PDB RCSB:5z6r, PDBe:5z6r, PDBj:5z6r
PDBsum5z6r
PubMed
UniProtQ9UBP0|SPAST_HUMAN Spastin (Gene Name=SPAST)

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