Structure of PDB 6u42 Chain O9 Binding Site BS01

Receptor Information
>6u42 Chain O9 (length=427) Species: 3055 (Chlamydomonas reinhardtii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
REVISIHIGQAGIQVGNACWELYCLEHGIQPDGQMPDAFNTFFSETGAGK
HVPRCIFLDLEPTVVDEVRTGTYRQLFHPEQLISGKEDAANNFARGHYTI
GKEIVDLALDRIRKLADNCTGLQGFLVFNAVGGGTGSGLGSLLLERLSVD
YGKKSKLGFTVYPSPQVSTAVVEPYNSVLSTHSLLEHTDVAVMLDNEAIY
DICRRSLDIERPTYTNLNRLIAQVISSLTASLRFDGALNVDITEFQTNLV
PYPRIHFMLSSYAPIISAEKAYHEQLSVAEITNAAFEPASMMVKCDPRHG
KYMACCLMYRGDVVPKDVNASVATIKTKRTIQFVDWCPTGFKCGINYQPP
TVVPGGDLAKVQRAVCMISNSTAIGEIFSRLDHKFDLMYAKRAFVHWYVG
EGMEEGEFSEAREDLAALEKDFEEVGA
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 chain6u42 Chain O9 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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PDB6u42 Structure of the Decorated Ciliary Doublet Microtubule.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		G10 Q11 A12 Q15 D98 A100 N101 G143 G144 T145 T179 N206 Y224 N228
Binding residue
(residue number reindexed from 1)		G9 Q10 A11 Q14 D88 A90 N91 G133 G134 T135 T169 N196 Y214 N218
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:0007010 cytoskeleton organization
GO:0007017 microtubule-based process
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:6u42, PDBe:6u42, PDBj:6u42
PDBsum6u42
PubMed31668805
UniProtP09204|TBA1_CHLRE Tubulin alpha-1 chain (Gene Name=TUBA1)

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