MolNFT v1 · #107220 · protein
Crystal structure of escherichia COLI bacterioferritin mutant D132F
4U3G: “Crystal structure of escherichia COLI bacterioferritin mutant D132F”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.75). MolNFT v1 #107220 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4U3G
- Type
- protein
- Length
- 1,896 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bacterioferritin
- EC
- 1.16.3.1
- UniProt
- P0ABD4
- Ligands
- SO4
- Pockets
- 20 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L | Bacterioferritin (EC 1.16.3.1) | protein | 158 | 77% helix, 0% strand | P0ABD4 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 16 copies · chains A, I, B, D, F, C, E, G, H, J, L, K
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 109 | 0.75 | 0.95 | 24 | empty |
| 2 | 115 | 0.75 | 0.94 | 25 | empty |
| 3 | 398 | 0.73 | 0.84 | 22 | empty |
| 4 | 167 | 0.72 | 0.89 | 31 | empty |
| 5 | 164 | 0.70 | 0.88 | 35 | empty |
Interfaces
24 interfaces between chains.
- I–J · 998 Ų buried · 15 hydrogen bonds · protein-protein
- K–L · 997 Ų buried · 16 hydrogen bonds · protein-protein
- G–H · 994 Ų buried · 16 hydrogen bonds · protein-protein
- E–F · 990 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 990 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 4U3G · Crystal structure of Escherichia coli bacterioferritin mutant D132F · the same entry in another collection · chain J against J, 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 P0ABD4
- Elsewhere: RCSB PDB 4U3G · PDBe 4U3G · UniProt P0ABD4
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