Research workbench
Computationally designed two-component self-assembling tetrahedral cage T33-15
Analyse Computationally designed two-component self-assembling tetrahedral cage T33-15 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4NWO
- Type
- protein
- Length
- 285 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Molybdenum cofactor biosynthesis protein moga; Chorismate mutase aroh
- EC
- 5.4.99.5
- UniProt
- Q8EKM7, Q84FH6
- Ligands
- CA
- Pockets
- 2 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Molybdenum cofactor biosynthesis protein moga | protein | 171 | 44% helix, 20% strand | Q8EKM7 |
| B | Chorismate mutase aroh (EC 5.4.99.5) | protein | 114 | 35% helix, 30% strand | Q84FH6 |
Ligands and binding sites
- CA · Calcium ion · metal · 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 | 97 | 0.55 | 0.84 | 22 | empty |
| 2 | 166 | 0.46 | 0.76 | 38 | empty |
Interfaces
1 interface between chains.
- A–B · 568 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4NWO · Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T33-15 · the same entry in another collection · chain A against A, TM-score 1.00
- Q84FH6 · AlphaFold monomer V2.0 prediction for chorismate mutase aroh (Q84FH6) · 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 Q8EKM7
- Every structure of UniProt Q84FH6
- Elsewhere: RCSB PDB 4NWO · PDBe 4NWO · UniProt Q8EKM7 · UniProt Q84FH6
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