MolNFT v1 · #81339 · protein
Mycobacterium tuberculosis ferritin homolog, bfrb
3UNO · Probable bacterioferritin bfrb: “Mycobacterium tuberculosis ferritin homolog, bfrb”. X-ray diffraction, 20 pockets (best druggability 0.77). MolNFT v1 #81339 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3UNO
- Type
- protein
- Length
- 4,049 residues
- Chains
- 24
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable bacterioferritin bfrb
- UniProt
- P96237
- Pockets
- 20 · best druggability 0.77
Structure
x-ray diffraction · 7 distinct chains · 74% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable bacterioferritin bfrb | protein | 175 | 72% helix, 1% strand | P96237 |
| B, D, U | Probable bacterioferritin bfrb | protein | 169 | 75% helix, 1% strand | P96237 |
| C | Probable bacterioferritin bfrb | protein | 169 | 75% helix, 1% strand | P96237 |
| E, X | Probable bacterioferritin bfrb | protein | 167 | 75% helix, 1% strand | P96237 |
| F, H, I, J, K, L, M, O, P, Q, S, T, V, W | Probable bacterioferritin bfrb | protein | 168 | 75% helix, 1% strand | P96237 |
| G, R | Probable bacterioferritin bfrb | protein | 170 | 74% helix, 1% strand | P96237 |
| N | Probable bacterioferritin bfrb | protein | 172 | 74% helix, 1% strand | P96237 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 76 | 0.77 | 0.99 | 15 | empty |
| 2 | 65 | 0.76 | 1.00 | 14 | empty |
| 3 | 66 | 0.75 | 0.99 | 14 | empty |
| 4 | 63 | 0.75 | 0.99 | 15 | empty |
| 5 | 59 | 0.74 | 0.99 | 14 | empty |
Interfaces
62 interfaces between chains.
- C–O · 1225 Ų buried · 13 hydrogen bonds · protein-protein
- F–R · 1224 Ų buried · 13 hydrogen bonds · protein-protein
- M–P · 1219 Ų buried · 13 hydrogen bonds · protein-protein
- I–U · 1218 Ų buried · 13 hydrogen bonds · protein-protein
- E–Q · 1217 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 3UNO · Mycobacterium tuberculosis ferritin homolog, BfrB · 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
- Every structure of UniProt P96237
- Elsewhere: RCSB PDB 3UNO · PDBe 3UNO · UniProt P96237
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