4B99: MAPK7 (ERK5) with inhibitor

Crystal Structure of MAPK7 (ERK5) with inhibitor. Determined by X-ray diffraction at 2.8 Å resolution. Released 19 Sept 2012.

Method: X-ray diffraction
Resolution: 2.8 Å
Organism: HOMO SAPIENS
Chains: 1
Atoms: 2,659
Mol. weight: 45.63 kDa
Ligands: R4L
Released: 19 Sept 2012

Explore 4B99 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4B99 contains 21 α-helices and 11 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: 21 helices, 11 β-strands

Element	Residues	Length	Sheet
β-strand	55-63	9	1
β-strand	68-74	7	1
β-strand	80-86	7	1
α-helix	93-108	16
β-strand	114	1	2
β-strand	117-120	4	1
α-helix	121-123	3
β-strand	133-138	6	1
β-strand	142-143	2	2
α-helix	144-148	5
α-helix	156-175	20
β-strand	179	1	3
α-helix	185-187	3
β-strand	188-190	3	2
β-strand	196-198	3	2
β-strand	205	1	3
α-helix	230-233	4
α-helix	242-257	16
α-helix	267-278	12
α-helix	280-282	3
α-helix	283-285	3
α-helix	294-299	6
α-helix	304-308	5
α-helix	309-312	4
α-helix	318-327	10
α-helix	336-337	2
α-helix	338-341	4
α-helix	345-347	3
α-helix	353-355	3
α-helix	362-364	3
α-helix	366-369	4
α-helix	374-392	19

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Mitogen-activated protein kinase 7	A	protein	398	HOMO SAPIENS	Q13164 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4B99_1 MITOGEN-ACTIVATED PROTEIN KINASE 7 (chains A)
SMAEPLKEEDGEDGSAEPPGPVKAEPAHTAASVAAKNLALLKARSFDVTFDVGDEYEIIE
TIGNGAYGVVSSARRRLTGQQVAIKKIPNAFDVVTNAKRTLRELKILKHFKHDNIIAIKD
ILRPTVPYGEFKSVYVVLDLMESDLHQIIHSSQPLTLEHVRYFLYQLLRGLKYMHSAQVI
HRDLKPSNLLVNENCELKIGDFGMARGLCTSPAEHQYFMTEYVATRWYRAPELMLSLHEY
TQAIDLWSVGCIFGEMLARRQLFPGKNYVHQLQLIMMVLGTPSPAVIQAVGAERVRAYIQ
SLPPRQPVPWETVYPGADRQALSLLGRMLRFEPSARISAAAALRHPFLAKYHDPDDEPDC
APPFDFAFDREALTRERIKEAIVAEIEDFHARREGIRQ

Ligands and cofactors

ID	Name	Formula	Copies
R4L	11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbon…	C35 H44 N8 O3	1

Primary citation

X-Ray Crystal Structure of Erk5 (Mapk7) in Complex with a Specific Inhibitor. Elkins, J.M., Wang, J., Deng, X. et al. J Med Chem (2013) 56:4413. DOI 10.1021/JM4000837 · PubMed

Other PDB entries of the same protein (UniProt Q13164 (AlphaFold model), which also has an AlphaFold model), best resolution first:

5BYZ 1.65 Å, ERK5 in complex with small molecule
4ZSG 1.79 Å, Mitogen activated protein kinase 7 in complex with inhibitor
2Q8Y 2.0 Å, Structural insight into the enzymatic mechanism of the phophothreonine lyase
4ZSL 2.25 Å, Mitogen activated protein kinase 7 in complex with inhibitor
6HKN 2.33 Å, Crystal structure of Compound 35 with ERK5
9LTA 2.33 Å, Crystal Structure of Compound SKLB-D18 with MAPK7 (ERK5)
5O7I 2.38 Å, ERK5 in complex with a pyrrole inhibitor
6HKM 2.47 Å, Crystal structure of Compound 1 with ERK5
4ZSJ 2.48 Å, Mitogen activated protein kinase 7 in complex with inhibitor
7PUS 2.59 Å, ERK5 in complex with Pyrrole Carboxamide scaffold
4IC7 2.6 Å, Crystal structure of the ERK5 kinase domain in complex with an MKK5 binding fragment
5BYY 2.79 Å, ERK5 in complex with small molecule

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