Research workbench
Structure of integrin ALPHA1BETA1 and ALPHA2BETA1 I-domains explain differential calcium-mediated ligand recognition
Analyse Structure of integrin ALPHA1BETA1 and ALPHA2BETA1 I-domains explain… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5HGJ
- Type
- protein
- Length
- 387 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Integrin alpha-1
- UniProt
- P56199
- Ligands
- CA, CL
- Pockets
- 1 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Integrin alpha-1 | protein | 194 | 42% helix, 22% strand | P56199 |
| B | Integrin alpha-1 | protein | 193 | 42% helix, 22% strand | P56199 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 464 | 0.62 | 0.76 | 46 | empty |
Interfaces
1 interface between chains.
- A–B · 269 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5HGJ · Structure of integrin alpha1beta1 and alpha2beta1 I-domains explain differential… · the same entry in another collection · chain B against B, TM-score 1.00
- P56199 · AlphaFold monomer V2.0 prediction for integrin alpha-1 (P56199) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P56199
- Elsewhere: RCSB PDB 5HGJ · PDBe 5HGJ · UniProt P56199
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