MolNFT v1 · #103215 · protein
Structure of the free form of the N-terminal VH1 domain of monomeric alpha-catenin
4P9T · Catenin alpha-2: “Structure of the free form of the N-terminal VH1 domain of monomeric alpha-catenin”. X-ray diffraction, 1 ligand (IOD), 9 pockets (best druggability 0.68). MolNFT v1 #103215 on GenesisL1: 3D structure, binding…
- PDB
- 4P9T
- Type
- protein
- Length
- 924 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Catenin alpha-2
- UniProt
- Q61301
- Ligands
- IOD
- Pockets
- 9 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 88% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Catenin alpha-2 | protein | 231 | 88% helix, 0% strand | Q61301 |
Ligands and binding sites
- IOD · Iodide ion · ion · 20 copies · chains A, B, C, D
- EDO · 1,2-ethanediol · additive · 12 copies · chains A, B, C, D
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 627 | 0.68 | 0.77 | 51 | empty |
| 2 | 244 | 0.60 | 0.80 | 35 | empty |
| 3 | 253 | 0.59 | 0.79 | 39 | empty |
| 4 | 183 | 0.54 | 0.79 | 35 | empty |
| 5 | 137 | 0.54 | 0.82 | 28 | empty |
Interfaces
3 interfaces between chains.
- A–B · 590 Ų buried · 0 hydrogen bonds · protein-protein
- C–D · 580 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 176 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4P9T · Structure of the free form of the N-terminal VH1 domain of monomeric alpha-catenin · the same entry in another collection · chain A against A, TM-score 1.00
- Q61301 · AlphaFold monomer V2.0 prediction for catenin alpha-2 (Q61301) · a predicted model of the same protein · chain A against A, TM-score 0.89
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 Q61301
- Elsewhere: RCSB PDB 4P9T · PDBe 4P9T · UniProt Q61301
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