MolNFT v1 · #33852 · protein
Crystal structure of a bacterioferritin comigratory protein peroxiredoxin from the aeropyrum pernix K1 (form-2 crystal)
2CX4: “Crystal structure of a bacterioferritin comigratory protein peroxiredoxin from the aeropyrum pernix K1…”. X-ray diffraction, 12 pockets (best druggability 0.66). MolNFT v1 #33852 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2CX4
- Type
- protein
- Length
- 1,284 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bacterioferritin comigratory protein
- EC
- 1.11.1.15
- Pockets
- 12 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G | Bacterioferritin comigratory protein (EC 1.11.1.15) | protein | 161 | 28% helix, 26% strand | — |
| B, D, F, H | Bacterioferritin comigratory protein (EC 1.11.1.15) | protein | 160 | 25% helix, 26% strand | — |
Pockets
12 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 533 | 0.66 | 0.77 | 72 | empty |
| 2 | 371 | 0.61 | 0.77 | 51 | empty |
| 3 | 330 | 0.61 | 0.78 | 45 | empty |
| 4 | 132 | 0.50 | 0.79 | 33 | empty |
| 5 | 178 | 0.46 | 0.75 | 31 | empty |
Interfaces
10 interfaces between chains.
- E–F · 1091 Ų buried · 8 hydrogen bonds · protein-protein
- G–H · 1061 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 1057 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 1021 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 276 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified, 4 disulfide (engineered, disulfide).
Compared structures
- 2CX4 · Crystal structure of a bacterioferritin comigratory protein peroxiredoxin from the… · the same entry in another collection · chain C against C, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 2CX4 · PDBe 2CX4
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