Brand  (β version)

PDB ID: 4ZHX

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Ligands
Code Name Style Show Link
4O7 (5s,6r,7r,9r,13cr,14r,16as)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5h,13ch-5,9-epoxy-4b,9a,1 5-triazadibenzo[B,H]cyclonona[1,2,3,4-jkl]cyclopenta[E]-as-indacen-14-ol PoSSuM
C1V 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7h-thieno[2,3-B]pyridine-5-carbonitrile PoSSuM
C2Z 5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid PoSSuM
Non-standard Residues
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TPO Phosphothreonine
SEP Phosphoserine
Glycosylation
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Modification
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Structure summary

Code : 4ZHX   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Novel binding site for allosteric activation of AMPK
Release Data : 2016-03-09
Compound :
mol_id molecule chains synonym
1 5'-AMP-activated protein kinase catalytic subunit alpha-2 A,C AMPK subunit alpha-2,Acetyl-CoA carboxylase kinase,ACACA kinase,Hydroxymethylglutaryl-CoA reductase kinase,HMGCR kinase
ec: 2.7.11.1,2.7.11.27,2.7.11.31
mol_id molecule chains synonym
2 5'-AMP-activated protein kinase subunit beta-1 B,D AMPKb
mol_id molecule chains synonym
3 5'-AMP-activated protein kinase subunit gamma-1 E,F AMPKg
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: PRKAA2, AMPK, AMPK2
expression_system_strain: Rosetta 2 (DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pETDuet-1
mol_id organism_scientific organism_common expression_system
2 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: PRKAB1, AMPK
expression_system_strain: Rosetta 2 (DE3)
expression_system_vector_type: Plasmid
expression_system_plasmid: RSFDuet-1
mol_id organism_scientific organism_common expression_system
3 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: PRKAG1
expression_system_strain: Rosetta 2 (DE3)
expression_system_vector_type: Plasmid
expression_system_plasmid: pETDuet-1
Authors : Langendorf, C.G., Ngoei, K.R., Issa, S.M.A., Ling, N., Gorman, M.A., Parker, M.W., Sakamoto, K., Scott, J.W., Oakhill, J.S., Kemp, B.E.
Keywords : Transferase, serine/threonine kinase, allosteric activation, nucleotide-binding
Exp. method : X-RAY DIFFRACTION ( 2.9900 Å )
Citation :

Structural basis of allosteric and synergistic activation of AMPK by furan-2-phosphonic derivative C2 binding.

Langendorf, C.G.,Ngoei, K.R.,Scott, J.W.  et al.
(2016)  Nat Commun  7 : 10912 - 10912

PubMed: 26952388
DOI: 10.1038/ncomms10912

Reaction

Chain : A, C
UniProt : P54646 (AAPK2_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein] 2.7.11.1 PubMed:28552616, PubMed:32029622, PubMed:36732624, PubMed:37079666
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ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein] 2.7.11.1 UniProtKB:Q09137
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ATP + L-seryl-[acetyl-CoA carboxylase] = ADP + H(+) + O- phospho-L-seryl-[acetyl-CoA carboxylase] - UniProtKB:Q09137
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ATP + L-seryl-[3-hydroxy-3-methylglutaryl-coenzyme A reductase] = ADP + H(+) + O-phospho-L-seryl-[3-hydroxy-3- methylglutaryl-coenzyme A reductase] 2.7.11.31 UniProtKB:Q09137
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Chain : B, D
UniProt : Q9Y478 (AAKB1_HUMAN)
Reaction : -
Chain : E, F
UniProt : P54619 (AAKG1_HUMAN)
Reaction : -