MolNFT v1 · #104505 · protein
Structure of a cube-shaped, highly porous protein cage designed by fusing symmetric oligomeric domains
4QCC · 2-dehydro-3-deoxy-6-phosphogalactonate aldolase, peptidyl…: “Structure of a cube-shaped, highly porous protein cage designed by fusing symmetric oligomeric domains”. X-ray diffraction, 4 pockets (best druggability 0.39). MolNFT v1…
- PDB
- 4QCC
- Type
- protein
- Length
- 540 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-dehydro-3-deoxy-6-phosphogalactonate aldolase, peptidyl- prolyl cis-trans isomerase…
- EC
- 4.1.2.21
- UniProt
- Q6BF16, U6NBA4
- Pockets
- 4 · best druggability 0.39
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 2-dehydro-3-deoxy-6-phosphogalactonate aldolase, peptidyl- prolyl cis-trans isomerase chimera (EC 4.1.2.21) | protein | 270 | 54% helix, 13% strand | Q6BF16, U6NBA4 |
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 75 | 0.39 | 0.78 | 16 | empty |
| 2 | 58 | 0.38 | 0.79 | 14 | empty |
| 3 | 67 | 0.35 | 0.77 | 19 | empty |
| 4 | 57 | 0.32 | 0.77 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 2222 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 4QCC · Structure of a cube-shaped, highly porous protein cage designed by fusing symmetric… · the same entry in another collection · chain A against A, TM-score 1.00
- Q6BF16 · AlphaFold monomer V2.0 prediction for 2-dehydro-3-deoxy-6-phosphogalactonate aldolase… · a predicted model of the same protein · chain A against A, TM-score 0.74
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 Q6BF16
- Every structure of UniProt U6NBA4
- Elsewhere: RCSB PDB 4QCC · PDBe 4QCC · UniProt Q6BF16 · UniProt U6NBA4
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