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Structure of PDB 1kao Chain A Binding Site BS01

Receptor Information >1kao Chain A (length=167) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] MREYKVVVLGSGGVGKSALTVQFVTGTFIEKYDPTIEDFYRKEIEVDSSP SVLEILDTAGTEQFASMRDLYIKNGQGFILVYSLVNQQSFQDIKPMRDQI IRVKRYEKVPVILVGNKVDLESEREVSSSEGRALAEEWGCPFMETSAKSK TMVDELFAEIVRQMNYA

Ligand information Ligand ID GDP InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 InChIKey QGWNDRXFNXRZMB-UUOKFMHZSA-N SMILES Software SMILES OpenEye OEToolkits 1.7.6 c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N CACTVS 3.385 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O CACTVS 3.385 NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O ACDLabs 12.01 O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O OpenEye OEToolkits 1.7.6 c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N Formula C10 H15 N5 O11 P2 Name GUANOSINE-5'-DIPHOSPHATE ChEMBL CHEMBL384759 DrugBank DB04315 ZINC ZINC000008215481 PDB chain 1kao Chain A Residue 170 [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 1kao Crystal structures of the small G protein Rap2A in complex with its substrate GTP, with GDP and with GTPgammaS. Resolution 1.7 Å Binding residue (original residue number in PDB) G13 G15 K16 S17 A18 F28 E30 K31 N116 K117 D119 L120 S146 A147 Binding residue (residue number reindexed from 1) G13 G15 K16 S17 A18 F28 E30 K31 N116 K117 D119 L120 S146 A147 Annotation score 4

Enzymatic activity Enzyme Commision number 3.6.5.2: small monomeric GTPase.

Gene Ontology Molecular Function GO:0000287 magnesium ion binding GO:0003924 GTPase activity GO:0003925 G protein activity GO:0005515 protein binding GO:0005525 GTP binding GO:0016787 hydrolase activity GO:0019003 GDP binding

	Biological Process
GO:0001934	positive regulation of protein phosphorylation
GO:0007165	signal transduction
GO:0008104	protein localization
GO:0030033	microvillus assembly
GO:0030036	actin cytoskeleton organization
GO:0030336	negative regulation of cell migration
GO:0031954	positive regulation of protein autophosphorylation
GO:0032486	Rap protein signal transduction
GO:0045184	establishment of protein localization
GO:0045198	establishment of epithelial cell apical/basal polarity
GO:0046328	regulation of JNK cascade
GO:0048814	regulation of dendrite morphogenesis
GO:0051963	regulation of synapse assembly
GO:0071466	cellular response to xenobiotic stimulus
GO:0072659	protein localization to plasma membrane
GO:0099072	regulation of postsynaptic membrane neurotransmitter receptor levels

	Cellular Component
GO:0005768	endosome
GO:0005829	cytosol
GO:0005886	plasma membrane
GO:0016020	membrane
GO:0030496	midbody
GO:0030659	cytoplasmic vesicle membrane
GO:0045202	synapse
GO:0055037	recycling endosome
GO:0055038	recycling endosome membrane
GO:0097060	synaptic membrane
GO:0098588	bounding membrane of organelle
GO:0098685	Schaffer collateral - CA1 synapse

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