Research workbench
X-ray structure of lfa-1 I domain in complex with lovastatin collected at 273 K
Analyse X-ray structure of lfa-1 I domain in complex with lovastatin collected at 273 K in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7KC6
- Type
- protein
- Length
- 368 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Integrin alpha-L
- UniProt
- P20701
- Ligands
- 803, MG
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C, A | Integrin alpha-L | protein | 184 | 38% helix, 23% strand | P20701 |
Ligands and binding sites
- 803 · Lovastatin · ligand · 2 copies · chains C, A
- MG · Magnesium ion · metal · 2 copies · chains C, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 310 | 0.65 | 0.80 | 23 | 803 |
| 2 | 265 | 0.60 | 0.79 | 23 | 803 |
| 3 | 110 | 0.54 | 0.84 | 26 | empty |
| 4 | 240 | 0.49 | 0.75 | 38 | empty |
Interfaces
1 interface between chains.
- C–A · 536 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 7KC6 · X-ray structure of Lfa-1 I domain in complex with Lovastatin collected at 273 K · the same entry in another collection · chain C against C, TM-score 1.00
- P20701 · AlphaFold monomer V2.0 prediction for integrin alpha-L (P20701) · a predicted model of the same protein · chain C 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 P20701
- Elsewhere: RCSB PDB 7KC6 · PDBe 7KC6 · UniProt P20701
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.