Structure of PDB 4hmy Chain C Binding Site BS01

Receptor Information
>4hmy Chain C (length=165) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EMRILMVGLDAAGKTTILYKLKLGEIVTTIPTIGFNVETVEYKNISFTVW
DVGGLDKIRPLWRHYFQNTQGLIFVVDSNDRERVNEAREELMRMLAEDEL
RDAVLLVFANKQDLPNAMNAAEITDKLGLHSLRHRNWYIQATCATSGDGL
YEGLDWLSNQLRNQK
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain4hmy Chain C Residue 1001 [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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PDB4hmy Structural Basis for Recruitment and Activation of the AP-1 Clathrin Adaptor Complex by Arf1.
Resolution7.0 Å
Binding residue
(original residue number in PDB)		D26 A27 A28 G29 K30 T31 T32 P47 T48 N126 K127 T161
Binding residue
(residue number reindexed from 1)		D10 A11 A12 G13 K14 T15 T16 P31 T32 N110 K111 T145
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S62
Catalytic site (residue number reindexed from 1) S46
Enzyme Commision number 3.6.5.2: small monomeric GTPase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003723 RNA binding
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0016787 hydrolase activity
GO:0019904 protein domain specific binding
Biological Process
GO:0002090 regulation of receptor internalization
GO:0006878 intracellular copper ion homeostasis
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
GO:0098586 cellular response to virus
GO:1990386 mitotic cleavage furrow ingression
Cellular Component
GO:0000139 Golgi membrane
GO:0005794 Golgi apparatus
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0005925 focal adhesion
GO:0012505 endomembrane system
GO:0014069 postsynaptic density
GO:0016020 membrane
GO:0030017 sarcomere
GO:0031252 cell leading edge
GO:0032991 protein-containing complex
GO:0043005 neuron projection
GO:0045202 synapse
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4hmy, PDBe:4hmy, PDBj:4hmy
PDBsum4hmy
PubMed23415225
UniProtP84077|ARF1_HUMAN ADP-ribosylation factor 1 (Gene Name=ARF1)

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