Structure of PDB 7n61 Chain Bb Binding Site BS01

Receptor Information
>7n61 Chain Bb (length=430) 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
VGEGMEEGEFSEAREDLAALEKDFEEVGAE
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 chain7n61 Chain Bb 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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PDB7n61 Cryo-EM structure of an active central apparatus.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		G10 Q11 A12 Q15 D98 A99 A100 N101 A140 G143 G144 T145 N206 Y224 N228
Binding residue
(residue number reindexed from 1)		G10 Q11 A12 Q15 D90 A91 A92 N93 A132 G135 G136 T137 N198 Y216 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
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Cellular Component
External links
PDB RCSB:7n61, PDBe:7n61, PDBj:7n61
PDBsum7n61
PubMed35578022
UniProtP09204|TBA1_CHLRE Tubulin alpha-1 chain (Gene Name=TUBA1)

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