3SA0: Complex of ERK2 with norathyriol

Complex of ERK2 with norathyriol. Determined by X-ray diffraction at 1.59 Å resolution. Released 14 Dec 2011.

Method: X-ray diffraction
Resolution: 1.59 Å
Organism: Homo sapiens
Chains: 1
Atoms: 3,249
Mol. weight: 42.03 kDa
Ligands: NRA
Released: 14 Dec 2011

Explore 3SA0 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3SA0 contains 23 α-helices and 16 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: 23 helices, 16 β-strands

Element	Residues	Length	Sheet
β-strand	8	1	1
β-strand	18	1	1
β-strand	25	1	2
β-strand	29-33	5	2
β-strand	38-44	7	2
β-strand	49-56	8	2
α-helix	62-77	16
β-strand	83	1	3
β-strand	88-90	3	2
β-strand	101-106	6	2
β-strand	110-111	2	3
α-helix	112-118	7
α-helix	120-122	3
α-helix	123-142	20
β-strand	145-146	2	4
α-helix	152-154	3
β-strand	155-157	3	3
β-strand	163-165	3	3
β-strand	172-173	2	4
α-helix	176-178	3
β-strand	180	1	5
α-helix	191-193	3
α-helix	196-200	5
β-strand	202	1	5
α-helix	208-223	16
α-helix	233-244	12
α-helix	247-248	2
α-helix	249-253	5
α-helix	258-266	9
α-helix	268-269	2
α-helix	271-274	4
α-helix	275-278	4
α-helix	284-293	10
α-helix	302-303	2
α-helix	304-308	5
α-helix	311-313	3
α-helix	319-321	3
α-helix	340-350	11
α-helix	352-354	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Mitogen-activated protein kinase 1	A	protein	360	Homo sapiens	P28482 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>3SA0_1 Mitogen-activated protein kinase 1 (chains A)
MAAAAAAGAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNVNKVRVAIKKISPFE
HQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQH
LSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDH
TGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHI
LGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHK
RIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS

Ligands and cofactors

ID	Name	Formula	Copies
NRA	norathyriol	C13 H8 O6	1

Water and common crystallization additives (SO4) are not listed.

Primary citation

Norathyriol Suppresses Skin Cancers Induced by Solar Ultraviolet Radiation by Targeting ERK Kinases. Li, J., Malakhova, M., Mottamal, M. et al. Cancer Res (2012) 72:260-270. DOI 10.1158/0008-5472.CAN-11-2596 · PubMed

Other PDB entries of the same protein (UniProt P28482 (AlphaFold model), which also has an AlphaFold model), best resolution first:

8AOJ 1.12 Å, Specific covalent inhibitor of ERK2
4ZZN 1.33 Å, Human ERK2 in complex with an inhibitor
6SLG 1.33 Å, Human ERK2 with ERK1/2 inhibitor, AZD0364.
5WP1 1.4 Å, Complex of ERK2 with 5,7-dihydroxychromone
4QTA 1.45 Å, Structure of human ERK2 in complex with SCH772984 revealing a novel inhibitor-induced…
4QTE 1.5 Å, Structure of ERK2 in complex with VTX-11e, 4-{2-[(2-CHLORO-4-FLUOROPHENYL)AMINO]-5-METHYL…
2Y9Q 1.55 Å, Crystal structure of human ERK2 complexed with a MAPK docking peptide
6QA3 1.57 Å, ERK2 mini-fragment binding
6QAL 1.57 Å, ERK2 mini-fragment binding
6GJD 1.58 Å, Erk2 signalling protein
6QA1 1.58 Å, ERK2 mini-fragment binding
6QAH 1.58 Å, ERK2 mini-fragment binding

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