7ATS: The LIMK1 Kinase Domain

The LIMK1 Kinase Domain Bound To LIJTF500127. Determined by X-ray diffraction at 2.8 Å resolution. Released 25 Nov 2020.

Method: X-ray diffraction
Resolution: 2.8 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,919
Mol. weight: 36.52 kDa
Ligands: RXQ
Released: 25 Nov 2020

Explore 7ATS in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7ATS contains 12 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: 12 helices, 13 β-strands

Element	Residues	Length	Sheet
β-strand	332-333	2	1
α-helix	336-338	3
β-strand	339-347	9	1
β-strand	351-358	8	1
β-strand	364-370	7	1
α-helix	375-388	14
β-strand	396	1	2
β-strand	399-405	7	1
β-strand	408-414	7	1
β-strand	420	1	3
α-helix	421-426	6
α-helix	434-453	20
β-strand	467-468	2	3
β-strand	474-475	2	3
β-strand	476	1	2
α-helix	518-522	5
α-helix	529-544	16
β-strand	555	1	4
β-strand	561	1	4
α-helix	563-570	8
α-helix	575-576	2
α-helix	579-586	8
α-helix	595-596	2
α-helix	597-612	16
α-helix	618-633	16

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
LIM domain kinase 1	A	protein	310	Homo sapiens	P53667 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>7ATS_1 LIM domain kinase 1 (chains A)
SMPHRIFRPSDLIHGEVLGKGCFGQAIKVTHRETGEVMVMKELIRFDEETQRTFLKEVKV
MRCLEHPNVLKFIGVLYKDKRLNFITEYIKGGTLRGIIKSMDSQYPWSQRVSFAKDIASG
MAYLHSMNIIHRDLNSHNCLVRENKNVVVADFGLARLMVDEKTQPEGLRSLKKPDRKKRY
TVVGNPYWMAPEMINGRSYDEKVDVFSFGIVLCEIIGRVNADPDYLPRTMDFGLNVRGFL
DRYCPPNCPPSFFPITVRCCDLDPEKRPSFVKLEHWLETLRMHLAGHLPLGPQLEQLDRG
FWETYRRGES

Ligands and cofactors

ID	Name	Formula	Copies
RXQ	N-[3-[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophen…	C26 H16 Cl F2 N3 O3 S	1

Primary citation

The LIMK1 Kinase Domain Bound To LIJTF500127. Mathea, S., Chatterjee, D., Preuss, F. et al. To be published.

Other PDB entries of the same protein (UniProt P53667 (AlphaFold model), which also has an AlphaFold model), best resolution first:

3S95 1.65 Å, Crystal structure of the human LIMK1 kinase domain in complex with staurosporine
8AAU 1.74 Å, LIM Domain Kinase 1 (LIMK1) bound to LIMKi3
6WLY 1.9 Å, PAK4 kinase domain in complex with LIMK1 Thr508 substrate peptide
9Z6D 1.94 Å, Crystal structure of LIMK1 mutant D460N bound to small molecule inhibitor cLIMK1i
5HVJ 2.2 Å, Crystal structure of LIMK1 D460N mutant in complex with AMP-PNP
5NXC 2.25 Å, LIM Domain Kinase 1 (LIMK1) In Complex With PF-00477736
9Z6E 2.26 Å, Crystal structure of apo LIMK1 mutant D460N
5L6W 2.53 Å, Structure Of the LIMK1-ATPgammaS-CFL1 Complex
7ATU 2.8 Å, The LIMK1 Kinase Domain Bound To LIJTF500025
7B8W 2.8 Å, Structure of LIMK1 Kinase domain with allosteric inhibitor TH-470
5HVK 3.5 Å, Crystal structure of LIMK1 mutant D460N in complex with full-length cofilin-1

Browse structure collections

About this viewer

MolViewer shows 7ATS directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.