Research workbench
Crystal structure analysis of the complex lfa-1 (CD11A) I-domain / lovastatin at 2.6 a resolution
Analyse Crystal structure analysis of the complex lfa-1 (CD11A) I-domain / lovastatin… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1CQP
- Type
- protein
- Length
- 364 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Antigen CD11A (P180)
- UniProt
- P20701
- Ligands
- 803, MG
- Pockets
- 2 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Antigen CD11A (P180) | protein | 182 | 39% helix, 25% strand | P20701 |
Ligands and binding sites
- 803 · Lovastatin · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 249 | 0.64 | 0.81 | 21 | 803 |
| 2 | 256 | 0.63 | 0.80 | 22 | 803 |
Interfaces
1 interface between chains.
- A–B · 923 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 1CQP · Crystal structure analysis of the complex lfa-1 (CD11A) I-domain / lovastatin at 2.6 a… · the same entry in another collection · chain A against A, TM-score 1.00
- P20701 · AlphaFold monomer V2.0 prediction for integrin alpha-L (P20701) · a predicted model of the same protein · chain A 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 1CQP · PDBe 1CQP · UniProt P20701
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