Brand  (β version)

PDB ID: 5V61

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Ligands
Code Name Style Show Link
90A 2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid PoSSuM
FRZ 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1h-pyrazolo[3,4-C]pyridazin-3-amine PoSSuM
GOL Glycerol PoSSuM
Non-standard Residues
Code Name Show
PTR O-phosphotyrosine
TPO Phosphothreonine
Glycosylation
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Modification
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Structure summary

Code : 5V61   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/INHIBITOR
Title : Phospho-ERK2 bound to bivalent inhibitor SBP2
Release Data : 2017-07-26
Compound :
mol_id molecule chains synonym
1 Mitogen-activated protein kinase 1 A MAPK 1,ERT1,Extracellular signal-regulated kinase 2,ERK-2,MAP kinase isoform p42,p42-MAPK,Mitogen-activated protein kinase 2,MAPK 2
ec: 2.7.11.24
fragment: UNP residues 8-367
mol_id molecule chains synonym
2 Ribosomal protein S6 kinase alpha-1,Protein Tat I S6K-alpha-1,90 kDa ribosomal protein S6 kinase 1,p90S6K,MAP kinase-activated protein kinase 1a,MAPKAPK-1a,Ribosomal S6 kinase 1,RSK-1,Transactivating regulatory protein
ec: 2.7.11.1
fragment: UNP Q15418 residues 713-729, UNP P04608 residues 730-738
other_details: RSK1 peptide
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: MAPK1, ERK2, PRKM1, PRKM2
mol_id organism_scientific organism_common
2 HIV-1 M:B_HXB2R  (taxid:11706) HIV-1
synthetic: yes
Authors : Lechtenberg, B.C., Riedl, S.J.
Keywords : kinase, MAPK, phosphorylation, cancer, TRANSFERASE-TRANSFERASE INHIBITOR complex, TRANSFERASE-INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.20 Å )
Citation :

Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors.

Lechtenberg, B.C.,Mace, P.D.,Sessions, E.H.  et al.
(2017)  ACS Med Chem Lett  8 : 726 - 731

PubMed: 28740606
DOI: 10.1021/acsmedchemlett.7b00127

Reaction

Chain : A
UniProt : P28482 (MK01_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein] 2.7.11.24 -
-
ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein] 2.7.11.24 -
-
Chain : I
UniProt : Q15418 (KS6A1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein] 2.7.11.1 -
-
ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein] 2.7.11.1 -
-
Chain : I
UniProt : P04608 (TAT_HV1H2)
Reaction : -