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Structure of PDB 2r75 Chain 1 Binding Site BS01

Receptor Information >2r75 Chain 1 (length=323) Species: 63363 (Aquifex aeolicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] CKIKVIGVGGGGSNAVNRMYEDGIEGVELYAINTDVQHLSTLKVPNKIQI GEKVTRGLGAGAKPEVGEEAALEDIDKIKEILRDTDMVFISAGLGGGTGT GAAPVIAKTAKEMGILTVAVATLPFRFEGPRKMEKALKGLEKLKESSDAY IVIHNDKIKELSNRTLTIKDAFKEVDSVLSKAVRGITSIVVTPAVINVDF ADVRTTLEEGGLSIIGMGEGRGDEKADIAVEKAVTSPLLEGNTIEGARRL LVTIWTSEDIPYDIVDEVMERIHSKVHPEAEIIFGAVLEPQEQDFIRVAI VATDFPEEKFQVGEKEVKFKVIK

Ligand information Ligand ID 01G InChI InChI=1S/C14H23N6O15P3/c15-13-17-10-7(11(23)18-13)16-14(19-1-3-31-4-2-19)20(10)12-9(22)8(21)6(33-12)5-32-37(27,28)35-38(29,30)34-36(24,25)26/h6,8-9,12,21-22H,1-5H2,(H,27,28)(H,29,30)(H2,24,25,26)(H3,15,17,18,23)/t6-,8-,9-,12-/m1/s1 InChIKey YYAPYNUGMUZNGD-WOUKDFQISA-N SMILES Software SMILES CACTVS 3.341 NC1=Nc2n([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O)c(nc2C(=O)N1)N4CCOCC4 CACTVS 3.341 NC1=Nc2n([C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O)c(nc2C(=O)N1)N4CCOCC4 OpenEye OEToolkits 1.5.0 C1COCCN1c2nc3c(n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC3=O)N ACDLabs 10.04 O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n2c(nc1c2N=C(N)NC1=O)N3CCOCC3)C(O)C4O OpenEye OEToolkits 1.5.0 C1COCCN1c2nc3c(n2C4C(C(C(O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC3=O)N Formula C14 H23 N6 O15 P3 Name 8-morpholin-4-ylguanosine 5'-(tetrahydrogen triphosphate) ChEMBL DrugBank ZINC ZINC000058660544 PDB chain 2r75 Chain 1 Residue 614 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure 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] PDB 2r75 Probing FtsZ and tubulin with C8-substituted GTP analogs reveals differences in their nucleotide binding sites Resolution 1.402 Å Binding residue (original residue number in PDB) G16 G17 G18 N21 A67 A69 G100 G103 G104 T105 G106 E135 F179 D183 Binding residue (residue number reindexed from 1) G9 G10 G11 N14 A60 A62 G93 G96 G97 T98 G99 E128 F172 D176 Annotation score 2 Binding affinity MOAD: Kd=714nM PDBbind-CN: -logKd/Ki=6.15,Kd=714nM

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0003924 GTPase activity GO:0005525 GTP binding

	Biological Process
GO:0000917	division septum assembly
GO:0043093	FtsZ-dependent cytokinesis
GO:0051258	protein polymerization
GO:0051301	cell division
GO:0090529	cell septum assembly

	Cellular Component
GO:0005737	cytoplasm
GO:0032153	cell division site

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