Research workbench
Crystal structure of the filamin a repeat 21 complexed with the integrin BETA7 cytoplasmic tail peptide
Analyse Crystal structure of the filamin a repeat 21 complexed with the integrin BETA7… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2BRQ
- Type
- protein
- Length
- 213 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Filamin a; Integrin beta-7 subunit
- UniProt
- P21333, P26010
- Ligands
- GSH
- Pockets
- 2 · best druggability 0.60
Structure
x-ray diffraction · 3 distinct chains · 6% helix, 56% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Filamin a | protein | 94 | 6% helix, 53% strand | P21333 |
| B | Filamin a | protein | 93 | 6% helix, 55% strand | P21333 |
| C, D | Integrin beta-7 subunit | protein | 13 | 0% helix, 77% strand | P26010 |
Ligands and binding sites
- GSH · Glutathione · ligand · 2 copies · chains A, C, B, D
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 78 | 0.60 | 0.89 | 23 | empty |
| 2 | 168 | 0.44 | 0.75 | 33 | empty |
Interfaces
6 interfaces between chains.
- A–C · 721 Ų buried · 14 hydrogen bonds · protein-protein
- B–D · 716 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 368 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 148 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 47 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 2BRQ · Crystal structure of the filamin A repeat 21 complexed with the integrin beta7… · the same entry in another collection · chain A against A, TM-score 1.00
- P21333 · AlphaFold monomer V2.0 prediction for filamin-a (P21333) · a predicted model of the same protein · chain A against A, TM-score 0.92
- P26010 · AlphaFold monomer V2.0 prediction for integrin beta-7 (P26010) · a predicted model of the same protein · chain C against A, TM-score 0.41
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 P21333
- Every structure of UniProt P26010
- Elsewhere: RCSB PDB 2BRQ · PDBe 2BRQ · UniProt P21333 · UniProt P26010
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