Research workbench
Lim domain kinase 2 (LIMK2) in complex with th-470
Analyse Lim domain kinase 2 (LIMK2) in complex with th-470 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7QHG
- Type
- protein
- Length
- 566 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lim domain kinase 2
- EC
- 2.7.11.1
- UniProt
- P53671
- Ligands
- T3B
- Pockets
- 3 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lim domain kinase 2 (EC 2.7.11.1) | protein | 283 | 41% helix, 19% strand | P53671 |
| B | Lim domain kinase 2 (EC 2.7.11.1) | protein | 283 | 40% helix, 18% strand | P53671 |
Ligands and binding sites
- T3B · 2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 647 | 0.83 | 0.88 | 75 | T3B |
| 2 | 1116 | 0.82 | 0.83 | 95 | T3B, EDO |
| 3 | 79 | 0.42 | 0.79 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 2105 Ų buried · 32 hydrogen bonds · protein-protein
Compared structures
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P53671
- Elsewhere: RCSB PDB 7QHG · PDBe 7QHG · UniProt P53671
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