5N3I: PDB entry 5N3I

cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule methyl (2S)-2-amino-3-phenylpropanoate. Determined by X-ray diffraction at 1.14 Å resolution. Released 28 Feb 2018.

Method
X-ray diffraction
Resolution
1.14 Å
Organism
Cricetulus griseus
Chains
1
Atoms
3,450
Mol. weight
41.61 kDa
Ligands
BJQ
Released
28 Feb 2018

Explore 5N3I in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5N3I contains 19 α-helices and 13 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 19 helices, 13 β-strands

ElementResiduesLengthSheet
α-helix13-3119
α-helix40-423
β-strand43-5191
β-strand55-6281
β-strand68-7581
α-helix76-816
α-helix85-9511
β-strand10312
α-helix104-1052
β-strand106-11161
β-strand115-12171
β-strand12712
α-helix128-1358
α-helix140-15920
β-strand162-16323
α-helix169-1713
β-strand172-17432
β-strand180-18232
β-strand189-19023
β-strand19514
α-helix202-2043
α-helix207-2104
β-strand21514
α-helix218-23316
α-helix243-25210
α-helix263-27210
α-helix277-2793
α-helix289-2924
α-helix295-2973
α-helix302-3065
α-helix311-3122
α-helix315-3173

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
cAMP-dependent protein kinase catalytic subunit alphaAprotein353Cricetulus griseusP25321 (AlphaFold model)
Sequence of entity 1 (A), FASTA
>5N3I_1 cAMP-dependent protein kinase catalytic subunit alpha (chains A)
GHMGNAAAAKKGSEQESVKEFLAKAKEEFLKKWESPSQNTAQLDHFDRIKTLGTGSFGRV
MLVKHKETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLY
MVMEYVPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQ
GYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPP
FFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWF
ATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVSINEKCGKEFTEF

Ligands and cofactors

IDNameFormulaCopies
BJQ[(2~{S})-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azaniumC10 H14 N O21

Water and common crystallization additives (DMS) are not listed.

Primary citation

A crystallographic fragment study with cAMP-dependent protein kinase A. Siefker, C., Heine, A., Klebe, G. To be published.

Other PDB entries of the same protein (UniProt P25321 (AlphaFold model), which also has an AlphaFold model), best resolution first:

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