MolNFT v1 · #69319 · protein
Crystal structure of the ILK/ALPHA-parvin core complex (apo)
3KMU · Integrin-linked kinase: “Crystal structure of the ILK/ALPHA-parvin core complex (apo)”. X-ray diffraction, 3 pockets (best druggability 0.81). MolNFT v1 #69319 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3KMU
- Type
- protein
- Length
- 391 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Integrin-linked kinase; Alpha-parvin
- UniProt
- Q13418, Q9NVD7
- Pockets
- 3 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Integrin-linked kinase | protein | 267 | 41% helix, 17% strand | Q13418 |
| B | Alpha-parvin | protein | 124 | 64% helix, 1% strand | Q9NVD7 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 992 | 0.81 | 0.82 | 92 | empty |
| 2 | 50 | 0.42 | 0.82 | 13 | empty |
| 3 | 54 | 0.35 | 0.79 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 962 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 3KMU · Crystal structure of the ILK/alpha-parvin core complex (apo) · the same entry in another collection · chain A against A, TM-score 1.00
- Q13418 · AlphaFold monomer V2.0 prediction for integrin-linked protein kinase (Q13418) · a predicted model of the same protein · chain A against A, TM-score 0.97
- Q9NVD7 · AlphaFold monomer V2.0 prediction for alpha-parvin (Q9NVD7) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 Q13418
- Every structure of UniProt Q9NVD7
- Elsewhere: RCSB PDB 3KMU · PDBe 3KMU · UniProt Q13418 · UniProt Q9NVD7
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