Structure of PDB 5exa Chain A Binding Site BS02

Receptor Information

>5exa Chain A (length=229) Species: 9606 (Homo sapiens)

DKNELVQKAKLAEQAERYDDMAACMKSVTEQGAELSNEERNLLSVAYKNV
VGARRSSWRVVSSIEQKTEGAEKKQQMAREYREKIETELRDICNDVLSLL
EKFLIPNASQAESKVFYLKMKGDYYRYLAEVAAGDDKKGIVDQSQQAYQE
AFEISKKEMQPTHPIRLGLALNFSVFYYEILNSPEKACSLAKTAFDEAIA
ELDTLSEESYKDSTLIMQLLRDNLTLWTS

Ligand information

• Ligand ID: 5SO
• InChI: InChI=1S/C30H48O8/c1-15(2)18-10-11-30(6)12-20-17(13-34-7)8-9-19(20)16(3)23(31)27(22(18)30)37-28-25(33)24(32)26-21(36-28)14-35-29(4,5)38-26/h12,15-17,19,21,23-28,31-33H,8-11,13-14H2,1-7H3/b20-12-/t16-,17-,19+,21-,23-,24-,25-,26-,27-,28+,30-/m1/s1
• InChIKey: LOAPHXVWCJVEPY-FNWYVXGSSA-N
• SMILES:
  OpenEye OEToolkits 2.0.4: CC1C2CCC(C2=CC3(CCC(=C3C(C1O)OC4C(C(C5C(O4)COC(O5)(C)C)O)O)C(C)C)C)COC
  CACTVS 3.385: COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH]4COC(C)(C)O[CH]4[CH](O)[CH]3O)C5=C(CC[C]5(C)C=C12)C(C)C
  OpenEye OEToolkits 2.0.4: C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@H]4[C@@H]([C@H]([C@H]5[C@H](O4)COC(O5)(C)C)O)O)C(C)C)C)COC
  CACTVS 3.385: COC[C@H]/1CC[C@H]2[C@@H](C)[C@@H](O)[C@H](O[C@@H]3O[C@@H]4COC(C)(C)O[C@H]4[C@H](O)[C@H]3O)C5=C(CC[C@]5(C)\C=C/12)C(C)C
• Formula: C30 H48 O8
• Name: Fusicoccin A-THF derivative
• PDB chain: 5exa Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5exa Small-Molecule Stabilization of the 14-3-3/Gab2 Protein-Protein Interaction (PPI) Interface.
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): F117 K120 D213
• Binding residue (residue number reindexed from 1): F116 K119 D212
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0003723 RNA binding
• GO:0005515 protein binding
• GO:0019901 protein kinase binding
• GO:0019904 protein domain specific binding
• GO:0031625 ubiquitin protein ligase binding
• GO:0042802 identical protein binding
• GO:0044325 transmembrane transporter binding
• GO:0045296 cadherin binding
• GO:0050815 phosphoserine residue binding
• GO:0140297 DNA-binding transcription factor binding
• GO:0140311 protein sequestering activity

Biological Process

• GO:0000122 negative regulation of transcription by RNA polymerase II
• GO:0001525 angiogenesis
• GO:0003016 respiratory system process
• GO:0006468 protein phosphorylation
• GO:0006605 protein targeting
• GO:0007165 signal transduction
• GO:0008039 synaptic target recognition
• GO:0008104 protein localization
• GO:0030324 lung development
• GO:0031647 regulation of protein stability
• GO:0035148 tube formation
• GO:0042149 cellular response to glucose starvation
• GO:0043066 negative regulation of apoptotic process
• GO:0043067 regulation of programmed cell death
• GO:0045824 negative regulation of innate immune response
• GO:0051683 establishment of Golgi localization
• GO:0070371 ERK1 and ERK2 cascade
• GO:0070372 regulation of ERK1 and ERK2 cascade
• GO:0090128 regulation of synapse maturation
• GO:0090168 Golgi reassembly
• GO:1900181 negative regulation of protein localization to nucleus
• GO:1904262 negative regulation of TORC1 signaling

Cellular Component

• GO:0005615 extracellular space
• GO:0005634 nucleus
• GO:0005654 nucleoplasm
• GO:0005737 cytoplasm
• GO:0005829 cytosol
• GO:0005925 focal adhesion
• GO:0031982 vesicle
• GO:0042470 melanosome
• GO:0070062 extracellular exosome
• GO:0072562 blood microparticle
• GO:0098686 hippocampal mossy fiber to CA3 synapse
• GO:0098978 glutamatergic synapse

External links

• PDB: RCSB:5exa, PDBe:5exa, PDBj:5exa
• PDBsum: 5exa
• PubMed: 26644359
• UniProt: P63104|1433Z_HUMAN 14-3-3 protein zeta/delta (Gene Name=YWHAZ)