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Structure of PDB 1u8y Chain B Binding Site BS01

Receptor Information >1u8y Chain B (length=168) Species: 9490 (Saguinus oedipus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] SLALHKVIMVGSGGVGKSALTLQFMYDEFVEDYEPTKADSYRKKVVLDGE EVQIDILDTAGQEDYAAIRDNYFRSGEGFLCVFSITEMESFAATADFREQ ILRVKEDENVPFLLVGNKSDLEDKRQVSVEEAKNRADQWNVNYVETSAKT RANVDKVFFDLMREIRAR

Ligand information Ligand ID GNP InChI InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1 InChIKey UQABYHGXWYXDTK-UUOKFMHZSA-N SMILES Software SMILES ACDLabs 10.04 O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O OpenEye OEToolkits 1.5.0 c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N OpenEye OEToolkits 1.5.0 c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N CACTVS 3.341 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O CACTVS 3.341 NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O Formula C10 H17 N6 O13 P3 Name PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER ChEMBL CHEMBL1233085 DrugBank DB02082 ZINC ZINC000037868676 PDB chain 1u8y Chain B Residue 202 [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 1u8y Crystal Structures of Ral-GppNHp and Ral-GDP Reveal Two Binding Sites that Are Also Present in Ras and Rap Resolution 1.55 Å Binding residue (original residue number in PDB) G24 V25 G26 K27 S28 A29 F39 E41 D42 A70 G71 N127 K128 D130 L131 S157 A158 K159 Binding residue (residue number reindexed from 1) G14 V15 G16 K17 S18 A19 F29 E31 D32 A60 G61 N117 K118 D120 L121 S147 A148 K149 Annotation score 3

Enzymatic activity Enzyme Commision number 3.6.5.2: small monomeric GTPase.

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

	Biological Process
GO:0007165	signal transduction

	Cellular Component
GO:0016020	membrane

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