Structure of PDB 4c0a Chain C Binding Site BS01

Receptor Information
>4c0a Chain C (length=161) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRILMVGLDAAGKTTILYKLKLGEIVTTIPTIGFNVETVEYKNISFTVWD
VGGQDKIRPLWRHYFQNTQGLIFVVDSNDRERVNEAREELMRMLAEDELR
DAVLLVFANKQDLPNAMNAAEITDKLGLHSLRHRNWYIQATCATSGDGLY
EGLDWLSNQLR
Ligand information
Ligand IDG3D
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(28-30(18,19)20)3(27-9)1-26-32(24,25)29-31(21,22)23/h2-3,5-6,9,16H,1H2,(H,24,25)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
InChIKeyHEYSFDAMRDTCJM-UUOKFMHZSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N=C(NC2=O)N
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3OP(=O)(O)O
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)OP(=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)[CH](O[P](O)(O)=O)[CH]3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-3'-MONOPHOSPHATE-5'-DIPHOSPHATE
ChEMBL
DrugBankDB04121
ZINCZINC000016051736
PDB chain4c0a Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4c0a Integrated conformational and lipid-sensing regulation of endosomal ArfGEF BRAG2.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		A27 G29 K30 T31 T32 N126 K127 D129 C159 A160 T161
Binding residue
(residue number reindexed from 1)		A10 G12 K13 T14 T15 N109 K110 D112 C142 A143 T144
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) Q71
Catalytic site (residue number reindexed from 1) Q54
Enzyme Commision number 3.6.5.2: small monomeric GTPase.
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0016787 hydrolase activity
Biological Process
GO:0002090 regulation of receptor internalization
GO:0006886 intracellular protein transport
GO:0015031 protein transport
GO:0016192 vesicle-mediated transport
GO:0034315 regulation of Arp2/3 complex-mediated actin nucleation
GO:0060292 long-term synaptic depression
GO:0097061 dendritic spine organization
Cellular Component
GO:0000139 Golgi membrane
GO:0005794 Golgi apparatus
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0014069 postsynaptic density
GO:0016020 membrane
GO:0042583 chromaffin granule
GO:0043005 neuron projection
GO:0045202 synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4c0a, PDBe:4c0a, PDBj:4c0a
PDBsum4c0a
PubMed24058294
UniProtP84080|ARF1_BOVIN ADP-ribosylation factor 1 (Gene Name=ARF1)

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