Structure of PDB 5w3h Chain A Binding Site BS01

Receptor Information
>5w3h Chain A (length=440) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MREVISINVGQAGCQIGNACWELYSLEHGIKPDGHLEDGLSKPKGGEEGF
STFFHETGYGKFVPRAIYVDLEPNVIDEVRNGPYKDLFHPEQLISGKEDA
ANNYARGHYTVGREILGDVLDRIRKLADQCDGLQGFLFTHSLGGGTGSGL
GSLLLEELSAEYGKKSKLEFAVYPAPQVSTSVVEPYNTVLTTHTTLEHAD
CTFMVDNEAIYDMCKRNLDIPRPSFANLNNLIAQVVSSVTASLRFDGSLN
VDLNEFQTNLVPYPRIHFPLVSYSPVLSKSKAFHESNSVSEITNACFEPG
NQMVKCDPRDGKYMATCLLYRGDVVTRDVQRAVEQVKNKKTVQLVDWCPT
GFKIGICYEPPTATPNSQLATVDRAVCMLSNTTSIAEAWKRIDRKFDLMY
AKRAFVHWYVGEGMEEGEFTEAREDLAALERDYIEVGADS
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[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=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain5w3h Chain A Residue 500 [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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PDB5w3h Structural differences between yeast and mammalian microtubules revealed by cryo-EM.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		G10 Q11 A12 Q15 S141 T146 N207 F225 N229
Binding residue
(residue number reindexed from 1)		G10 Q11 A12 Q15 S141 T146 N207 F225 N229
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.5.-
Gene Ontology
Molecular Function
GO:0003674 molecular_function
GO:0005200 structural constituent of cytoskeleton
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0000070 mitotic sister chromatid segregation
GO:0000226 microtubule cytoskeleton organization
GO:0000278 mitotic cell cycle
GO:0000280 nuclear division
GO:0007010 cytoskeleton organization
GO:0007017 microtubule-based process
GO:0030473 nuclear migration along microtubule
GO:0045143 homologous chromosome segregation
GO:0098863 nuclear migration by microtubule mediated pushing forces
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005819 spindle
GO:0005856 cytoskeleton
GO:0005874 microtubule
GO:0034399 nuclear periphery
GO:0045298 tubulin complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5w3h, PDBe:5w3h, PDBj:5w3h
PDBsum5w3h
PubMed28652389
UniProtP09733|TBA1_YEAST Tubulin alpha-1 chain (Gene Name=TUB1)

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