MolNFT v1 · #33851 · protein
Crystal structure of a bacterioferritin comigratory protein peroxiredoxin from the aeropyrum pernix K1 (form-1 crystal)
2CX3: “Crystal structure of a bacterioferritin comigratory protein peroxiredoxin from the aeropyrum pernix K1…”. X-ray diffraction, 4 pockets (best druggability 0.79). MolNFT v1 #33851 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2CX3
- Type
- protein
- Length
- 641 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bacterioferritin comigratory protein
- EC
- 1.11.1.15
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D | Bacterioferritin comigratory protein (EC 1.11.1.15) | protein | 160 | 26% helix, 31% strand | — |
| B | Bacterioferritin comigratory protein (EC 1.11.1.15) | protein | 161 | 25% helix, 30% strand | — |
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 711 | 0.79 | 0.84 | 97 | empty |
| 2 | 487 | 0.73 | 0.82 | 73 | empty |
| 3 | 122 | 0.54 | 0.82 | 27 | empty |
| 4 | 53 | 0.43 | 0.83 | 20 | empty |
Interfaces
5 interfaces between chains.
- A–C · 1098 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 784 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 690 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 357 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 302 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 8 modified, 4 disulfide (engineered, disulfide).
Compared structures
- 2CX3 · Crystal structure of a bacterioferritin comigratory protein peroxiredoxin from the… · the same entry in another collection · chain A against A, 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 2CX3 · PDBe 2CX3
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