Structure of PDB 2rho Chain A Binding Site BS01

Receptor Information
>2rho Chain A (length=305) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASIKVIGVGGGGNNAVNRMIENEVQGVEYIAVNTDAQALNLSKAEVKMQI
GAKLTRGLGAGANPEVGKKAAEESKEQIEEALKGADMVFVTAGMGGGTGT
GAAPVIAQIAKDLGALTVGVVTRPFTFEGRKRQLQAAGGISAMKEAVDTL
IVIPNDRILEIVDKNTPMLEAFREADNVLRQGVQGISDLIATPGLINLDF
ADVKTIMSNKGSALMGIGIATGENRAAEAAKKAISSPLLEAAIDGAQGVL
MNITGGTNLSLYEVQEAADIVASASDQDVNMIFGSVINENLKDEIVVTVI
ATGFL
Ligand information
Ligand IDGSP
InChIInChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXOFLBQFBSOEHOG-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(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)O[P@@](O)(=O)O[P](O)(O)=S)[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)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
ACDLabs 10.04S=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O13 P3 S
Name5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE
ChEMBLCHEMBL1204628
DrugBankDB01864
ZINCZINC000008217391
PDB chain2rho 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

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PDB2rho Combined protein construct and synthetic gene engineering for heterologous protein expression and crystallization using Gene Composer.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		G20 G21 G22 N25 A71 A73 G104 G108 T109 G110 E139 R143 F183 A186 D187
Binding residue
(residue number reindexed from 1)		G9 G10 G11 N14 A60 A62 G93 G97 T98 G99 E128 R132 F172 A175 D176
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding

View graph for
Molecular Function
External links
PDB RCSB:2rho, PDBe:2rho, PDBj:2rho
PDBsum2rho
PubMed19383143
UniProtP17865|FTSZ_BACSU Cell division protein FtsZ (Gene Name=ftsZ)

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