Structure of PDB 5wcb Chain B Binding Site BS01

Receptor Information
>5wcb Chain B (length=277) Species: 6239 (Caenorhabditis elegans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YIVQAVRGTMATMSLDDIIGMHDVKQVLHEAVTLPLLVPEFFQGLRSPWK
AMVLAGPPGTGKTLIARAIASESSSTFFTVSSTDLSSKWRGDSEKIVRLL
FELARFYAPSIIFIDQIDTHEASRRVKSEFLVQMDRRVFVLAATNIPWEL
DEALRRRFEKRIFIPLPDIDARKKLIEKSMEGTPKSDEINYDDLAARTEG
FSGADVVSLCRTAAINVLRRYDTKSLRGGELTAAMESLKAELVRNIDFEA
ALQAVSPSAGPDTMLKCKEWCDSFGAM
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 chain5wcb Chain B Residue 501 [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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PDB5wcb Katanin spiral and ring structures shed light on power stroke for microtubule severing.
Resolution6.0 Å
Binding residue
(original residue number in PDB)		I195 P235 G236 T237 G238 K239 T240 L241 A399
Binding residue
(residue number reindexed from 1)		I18 P58 G59 T60 G61 K62 T63 L64 A204
Annotation score5
Enzymatic activity
Enzyme Commision number 5.6.1.1: microtubule-severing ATPase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008017 microtubule binding
GO:0008568 microtubule severing ATPase activity
GO:0016853 isomerase activity
GO:0016887 ATP hydrolysis activity
GO:0019903 protein phosphatase binding
GO:0042802 identical protein binding
GO:0060090 molecular adaptor activity
GO:0090736 MATH domain binding
Biological Process
GO:0000212 meiotic spindle organization
GO:0000226 microtubule cytoskeleton organization
GO:0007019 microtubule depolymerization
GO:0007143 female meiotic nuclear division
GO:0009792 embryo development ending in birth or egg hatching
GO:0051013 microtubule severing
GO:0051229 meiotic spindle disassembly
GO:0051301 cell division
GO:0051321 meiotic cell cycle
GO:0071688 striated muscle myosin thick filament assembly
GO:1902120 negative regulation of meiotic spindle elongation
Cellular Component
GO:0000785 chromatin
GO:0000922 spindle pole
GO:0005634 nucleus
GO:0005694 chromosome
GO:0005737 cytoplasm
GO:0005813 centrosome
GO:0005819 spindle
GO:0005856 cytoskeleton
GO:0005874 microtubule
GO:0008352 katanin complex
GO:0015630 microtubule cytoskeleton
GO:0072687 meiotic spindle
GO:0090619 meiotic spindle pole

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5wcb, PDBe:5wcb, PDBj:5wcb
PDBsum5wcb
PubMed28783150
UniProtP34808|KTNA1_CAEEL Meiotic spindle formation protein mei-1 (Gene Name=mei-1)

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