Structure of PDB 6e88 Chain H Binding Site BS01

Receptor Information
>6e88 Chain H (length=434) Species: 6239 (Caenorhabditis elegans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MREVISIHVGQAGVQIGNACWELYCLEHGIQPDGTMPTQSTNEGESFTTF
FSDTGSGRYVPRSIFVDLEPTVVDEIRTGTYKKLFHPEQMITGKEDAANN
YARGHYTVGKELIDTVLDRIRRLADNCSGLQGFFVFHSFGGGTGSGFTSL
LMERLSVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDCAF
MVDNEAIYDICRRNLDVERPSYTNLNRIISQVVSSITASLRFDGALNVDL
NEFQTNLVPYPRIHFPLAAYTPLISAEKAYHEALSVSDITNSCFEPANQM
VKCDPRHGKYMAVCLLYRGDVVPKDVNTAIAAIKTKRTIQFVDWCPTGFK
VGINYQPPTVVPGGDLAKVPRAVCMLSNTTAIAEAWSRLDYKFDLMYAKR
AFVHWYVGEGMEEGEFTEAREDLAALEKDYEEVG
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 chain6e88 Chain H 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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PDB6e88 The Structure and Dynamics of C. elegans Tubulin Reveals the Mechanistic Basis of Microtubule Growth.
Resolution4.8 Å
Binding residue
(original residue number in PDB)		Q11 A12 N99 Y222
Binding residue
(residue number reindexed from 1)		Q11 A12 N99 Y222
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.5.-
Gene Ontology
Molecular Function
GO:0005200 structural constituent of cytoskeleton
GO:0005525 GTP binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0000132 establishment of mitotic spindle orientation
GO:0000226 microtubule cytoskeleton organization
GO:0000278 mitotic cell cycle
GO:0007017 microtubule-based process
GO:0008104 protein localization
GO:0009792 embryo development ending in birth or egg hatching
GO:0032465 regulation of cytokinesis
GO:0051642 centrosome localization
Cellular Component
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0005874 microtubule

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6e88, PDBe:6e88, PDBj:6e88
PDBsum6e88
PubMed30245157
UniProtP34690|TBA2_CAEEL Tubulin alpha-2 chain (Gene Name=tba-2)

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