Structure of PDB 7quq Chain A Binding Site BS01

Receptor Information
>7quq Chain A (length=414) Species: 48465 (Prosthecobacter dejongeii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVNNTIVVSIGQAGNQIAASFWKTVCLEHGIDPLTGQTAPGVAPRGNWSS
FFSKLGGSYVPRAIMVDLEPSVIDNVKATSGSLFNPANLISRTEGAGGNF
AVGYLGAGREVLPEVMSRLDYEIDKCDNVGGIIVLHAIGGGTGSGFGALL
IESLKEKYGEIPVLSCAVLPSPQVSSVVTEPYNTVFALNTLRRSADACLI
FDNEALFDLAHRKWNIESPTVDDLNLLITEALAGITASMRFSGFLTVEIS
LRELLTNLVPQPSLHFLMCAFAPLTPPIEEMIKSLFDNGSVFAACSPMEG
RFLSTAVLYRGIMEDKPLADAALAAMREKLPLTYWIPTAFKIGYVEQPGI
SHRKSMVLLANNTEIARVLDRICHNFDKLWQRKAFANWYLNEGMSEEQIN
VLRASAQELVQSYQ
Ligand information
Ligand IDG2P
InChIInChI=1S/C11H18N5O13P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-30(20,21)3-31(22,23)29-32(24,25)26/h2,4,6-7,10,17-18H,1,3H2,(H,20,21)(H,22,23)(H2,24,25,26)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
InChIKeyGXTIEXDFEKYVGY-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@](O)(=O)C[P@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(C[P@@](=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N
ACDLabs 10.04O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
FormulaC11 H18 N5 O13 P3
NamePHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
ChEMBLCHEMBL1232908
DrugBankDB03532
ZINCZINC000016051609
PDB chain7quq Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7quq Diverse cytomotive actins and tubulins share a polymerization switch mechanism conferring robust dynamics.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		G12 Q13 A14 Q17 I18 E74 G102 G103 A142 G145 G146 T147 G148 N208 N230
Binding residue
(residue number reindexed from 1)		G11 Q12 A13 Q16 I17 E69 G97 G98 A137 G140 G141 T142 G143 N203 N225
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005200 structural constituent of cytoskeleton
GO:0005525 GTP binding
GO:0016787 hydrolase activity
Biological Process
GO:0000226 microtubule cytoskeleton organization
GO:0007017 microtubule-based process
Cellular Component
GO:0005737 cytoplasm
GO:0005874 microtubule

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7quq, PDBe:7quq, PDBj:7quq
PDBsum7quq
PubMed36989372
UniProtA0A7W7YIU5

[Back to BioLiP]