MolNFT v1 · #104272 · protein
Crystal structure of a T151A mutant of the E. COLI feob G-domain
4Q5I · Ferrous iron transport protein B: “Crystal structure of a T151A mutant of the E. COLI feob G-domain”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.86). MolNFT v1 #104272 on GenesisL1: 3D structure, binding…
- PDB
- 4Q5I
- Type
- protein
- Length
- 1,584 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferrous iron transport protein B
- UniProt
- P33650
- Ligands
- SO4
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 6 distinct chains · 49% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferrous iron transport protein B | protein | 268 | 47% helix, 18% strand | P33650 |
| B | Ferrous iron transport protein B | protein | 269 | 47% helix, 18% strand | P33650 |
| C | Ferrous iron transport protein B | protein | 262 | 50% helix, 18% strand | P33650 |
| D | Ferrous iron transport protein B | protein | 263 | 49% helix, 18% strand | P33650 |
| E | Ferrous iron transport protein B | protein | 261 | 48% helix, 19% strand | P33650 |
| F | Ferrous iron transport protein B | protein | 261 | 51% helix, 18% strand | P33650 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 970 | 0.86 | 0.88 | 136 | empty |
| 2 | 1174 | 0.80 | 0.81 | 95 | empty |
| 3 | 1155 | 0.79 | 0.80 | 78 | empty |
| 4 | 573 | 0.78 | 0.84 | 44 | empty |
| 5 | 468 | 0.74 | 0.83 | 51 | empty |
Interfaces
10 interfaces between chains.
- A–E · 1204 Ų buried · 24 hydrogen bonds · protein-protein
- D–E · 933 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 889 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 861 Ų buried · 15 hydrogen bonds · protein-protein
- A–D · 840 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
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 P33650
- Elsewhere: RCSB PDB 4Q5I · PDBe 4Q5I · UniProt P33650
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