UniProt P53667
LIM domain kinase 1 (P53667)
LIM domain kinase 1 (UniProt P53667), EC 2.7.11.1: 14 experimental structures and 1 predicted model on GenesisL1, 9 ligands bound, 1 pocket. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P53667
- Protein
- LIM domain kinase 1
- EC
- 2.7.11.1
- Experimental structures
- 14
- Predicted models
- 1
- Ligands
- 9
- Pockets
- 1 · 1 record with a druggable one
Structures
15 records of P53667 in the MolNFT archive: 14 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3S95 | Crystal structure of the human LIMK1 kinase domain in complex with staurosporine | x-ray diffraction | A, B | — | — |
| 3S95 | Crystal structure of the human LIMK1 kinase domain in complex with staurosporine | x-ray diffraction | A, B | — | — |
| 5HVJ | Crystal structure of LIMK1 D460N mutant in complex with AMP-PNP | x-ray diffraction | A, B | ANP | — |
| 5HVJ | Crystal structure of LIMK1 D460N mutant in complex with AMP-pnp | x-ray diffraction | A, B | — | — |
| 5HVK | Crystal structure of LIMK1 mutant D460N in complex with full-length cofilin-1 | x-ray diffraction | A, C | — | — |
| 5L6W | Structure Of the LIMK1-ATPgammaS-CFL1 Complex | x-ray diffraction | L | AGS | — |
| 5L6W | Structure of the LIMK1-atpgammas-CFL1 complex | x-ray diffraction | L | AGS | — |
| 5NXC | LIM Domain Kinase 1 (LIMK1) In Complex With PF-00477736 | x-ray diffraction | L | 9DB | 1 (best 0.66) |
| 5NXC | Lim domain kinase 1 (LIMK1) in complex with pf-00477736 | x-ray diffraction | L | 9DB | — |
| 6WLY | PAK4 kinase domain in complex with LIMK1 THR508 substrate peptide | x-ray diffraction | B | — | — |
| 7ATS | The LIMK1 kinase domain bound to LIJTF500127 | x-ray diffraction | A | RXQ | — |
| 7ATU | The LIMK1 kinase domain bound to LIJTF500025 | x-ray diffraction | A, B, C, D | RXN | — |
| 7B8W | Structure of LIMK1 kinase domain with allosteric inhibitor th-470 | x-ray diffraction | A, B, C, D | T3B | — |
| 8AAU | Lim domain kinase 1 (LIMK1) bound to LIMKI3 | x-ray diffraction | L | LH0, SO4, MG | — |
| P53667 | AlphaFold monomer V2.0 prediction for lim domain kinase 1 (P53667) | predicted | A | — | — |
Ligands
- 9DB · (2~{R})-2-azanyl-2-cyclohexyl-~{N}-[2-(1-methylpyrazol-4-yl)-9-oxidanylidene-3,10,11-triazatricyclo[6.4.1.0^{4,13}]trideca-1,4,6,8(13),11-pentaen-6-yl]ethanamide · in 2 records
- AGS · Phosphothiophosphoric acid-adenylate ester · in 2 records
- ANP · Phosphoaminophosphonic acid-adenylate ester · in 1 record
- LH0 · ~{N}-[5-[2-[2,6-bis(chloranyl)phenyl]-5-[bis(fluoranyl)methyl]pyrazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-propanamide · in 1 record
- MG · Magnesium ion · in 1 record
- RXN · (S)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide · in 1 record
- RXQ · N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]benzenesulfonamide · in 1 record
- SO4 · Sulfate ion · in 1 record
- T3B · 2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide · in 1 record
Experiment against prediction
- 3S95 chain A against the predicted model P53667: TM-score 0.98, RMSD 0.96 Å
- 3S95 chain A against the predicted model P53667: TM-score 0.98, RMSD 0.96 Å
- 5HVJ chain A against the predicted model P53667: TM-score 0.98, RMSD 1.10 Å
- 5HVJ chain A against the predicted model P53667: TM-score 0.98, RMSD 1.10 Å
- 5L6W chain L against the predicted model P53667: TM-score 0.98, RMSD 1.30 Å
- 5L6W chain L against the predicted model P53667: TM-score 0.98, RMSD 1.30 Å
- 5HVK chain C against the predicted model P53667: TM-score 0.97, RMSD 1.46 Å
- 5HVJ chain B against the predicted model P53667: TM-score 0.96, RMSD 1.39 Å
- 5HVJ chain B against the predicted model P53667: TM-score 0.96, RMSD 1.39 Å
- 5HVK chain A against the predicted model P53667: TM-score 0.96, RMSD 1.47 Å
Elsewhere
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