Research workbench
Crystal structure of TALIN2 F2-F3 in complex with the integrin BETA1D cytoplasmic tail
Analyse Crystal structure of TALIN2 F2-F3 in complex with the integrin BETA1D… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3G9W
- Type
- protein
- Length
- 500 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Talin-2; Integrin beta-1D
- UniProt
- Q71LX4, P05556
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 4 distinct chains · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Talin-2 | protein | 217 | 42% helix, 20% strand | Q71LX4 |
| B | Talin-2 | protein | 204 | 43% helix, 20% strand | Q71LX4 |
| C | Integrin beta-1D | protein | 39 | 56% helix, 5% strand | P05556 |
| D | Integrin beta-1D | protein | 40 | 63% helix, 5% strand | P05556 |
Ligands and binding sites
- GOL · Glycerol · additive · 6 copies · chains A, B, C
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1119 | 0.76 | 0.78 | 78 | empty |
| 2 | 95 | 0.40 | 0.76 | 15 | empty |
| 3 | 67 | 0.33 | 0.76 | 12 | empty |
| 4 | 83 | 0.32 | 0.73 | 18 | PEG |
| 5 | 66 | 0.31 | 0.75 | 12 | empty |
Interfaces
4 interfaces between chains.
- A–D · 1335 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 1304 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 624 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 17 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3G9W · Crystal Structure of Talin2 F2-F3 in Complex with the Integrin Beta1D Cytoplasmic Tail · the same entry in another collection · chain D against D, TM-score 1.00
- Q71LX4 · AlphaFold monomer V2.0 prediction for talin-2 (Q71LX4) · a predicted model of the same protein · chain B against A, TM-score 0.76
- P05556 · AlphaFold monomer V2.0 prediction for integrin beta-1 (P05556) · a predicted model of the same protein · chain C against A, TM-score 0.57
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 Q71LX4
- Every structure of UniProt P05556
- Elsewhere: RCSB PDB 3G9W · PDBe 3G9W · UniProt Q71LX4 · UniProt P05556
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