Structure of PDB 7sqc Chain QF Binding Site BS01

Receptor Information
>7sqc Chain QF (length=430) Species: 3055 (Chlamydomonas reinhardtii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MREVISIHIGQAGIQVGNACWELYCLEHGIQPDGQMPDAFNTFFSETGAG
KHVPRCIFLDLEPTVVDEVRTGTYRQLFHPEQLISGKEDAANNFARGHYT
IGKEIVDLALDRIRKLADNCTGLQGFLVFNAVGGGTGSGLGSLLLERLSV
DYGKKSKLGFTVYPSPQVSTAVVEPYNSVLSTHSLLEHTDVAVMLDNEAI
YDICRRSLDIERPTYTNLNRLIAQVISSLTASLRFDGALNVDITEFQTNL
VPYPRIHFMLSSYAPIISAEKAYHEQLSVAEITNAAFEPASMMVKCDPRH
GKYMACCLMYRGDVVPKDVNASVATIKTKRTIQFVDWCPTGFKCGINYQP
PTVVPGGDLAKVQRAVCMISNSTAIGEIFSRLDHKFDLMYAKRAFVHWYV
GEGMEEGEFSEAREDLAALEKDFEEVGAES
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 chain7sqc Chain QF Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7sqc Ciliary central apparatus structure reveals mechanisms of microtubule patterning.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		G10 Q11 A12 D98 A99 A100 N101 A140 G143 T145 V171 T179 N206 Y224 N228
Binding residue
(residue number reindexed from 1)		G10 Q11 A12 D89 A90 A91 N92 A131 G134 T136 V162 T170 N197 Y215 N219
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:7sqc, PDBe:7sqc, PDBj:7sqc
PDBsum7sqc
PubMed35578023
UniProtP09204|TBA1_CHLRE Tubulin alpha-1 chain (Gene Name=TUBA1)

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