Structure of PDB 6ve7 Chain 6 Binding Site BS01

Receptor Information
>6ve7 Chain 6 (length=428) Species: 3055 (Chlamydomonas reinhardtii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MREVISIHIGQAGIQVGNACWELYCLEHGIQPDGQMPDDAFNTFFSETGA
GKHVPRCIFLDLEPTVVDEVRTGTYRQLFHPEQLISGKEDAANNFARGHY
TIGKEIVDLALDRIRKLADNCTGLQGFLVFNAVGGGTGSGLGSLLLERLS
VDYGKKSKLGFTVYPSPQVSTAVVEPYNSVLSTHSLLEHTDVAVMLDNEA
IYDICRRSLDIERPTYTNLNRLIAQVISSLTASLRFDGALNVDITEFQTN
LVPYPRIHFMLSSYAPIISAEKAYHEQLSVAEITNAAFEPASMMVKCDPR
HGKYMACCLMYRGDVVPKDVNASVATIKTKRTIQFVDWCPTGFKCGINYQ
PPTVVPGGDLAKVQRAVCMISNSTAIGEIFSRLDHKFDLMYAKRAFVHWY
VGEGMEEGEFSEAREDLAALEKDFEEVG
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 chain6ve7 Chain 6 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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PDB6ve7 The inner junction complex of the cilia is an interaction hub that involves tubulin post-translational modifications.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		G10 Q11 A12 Q15 E71 A99 A100 N101 G143 G144 T145 G146 T179 Y224 L227 N228
Binding residue
(residue number reindexed from 1)		G10 Q11 A12 Q15 E63 A91 A92 N93 G135 G136 T137 G138 T171 Y216 L219 N220
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
View graph for
Cellular Component
External links
PDB RCSB:6ve7, PDBe:6ve7, PDBj:6ve7
PDBsum6ve7
PubMed31951202
UniProtP09204|TBA1_CHLRE Tubulin alpha-1 chain (Gene Name=TUBA1)

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