MolNFT v1 · #67054 · protein
Structure of the cytosolic domain of E. COLI feob, GPPCH2P-bound form
3I92 · Ferrous iron transport protein B: “Structure of the cytosolic domain of E. COLI feob, GPPCH2P-bound form”. X-ray diffraction, 2 ligands (GCP, MG), 6 pockets (best druggability 0.80). MolNFT v1 #67054 on GenesisL1: 3D structure…
- PDB
- 3I92
- Type
- protein
- Length
- 778 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferrous iron transport protein B
- UniProt
- P33650
- Ligands
- GCP, MG
- Pockets
- 6 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 49% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferrous iron transport protein B | protein | 257 | 47% helix, 18% strand | P33650 |
| B | Ferrous iron transport protein B | protein | 260 | 49% helix, 17% strand | P33650 |
| C | Ferrous iron transport protein B | protein | 261 | 49% helix, 15% strand | P33650 |
Ligands and binding sites
- GCP · Phosphomethylphosphonic acid guanylate ester · ligand · 3 copies · chains A, B, C
- MG · Magnesium ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 858 | 0.80 | 0.82 | 61 | empty |
| 2 | 880 | 0.78 | 0.80 | 98 | empty |
| 3 | 155 | 0.52 | 0.79 | 22 | empty |
| 4 | 172 | 0.47 | 0.76 | 31 | empty |
| 5 | 56 | 0.43 | 0.82 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–C · 712 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 654 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 191 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 3I92 · Structure of the cytosolic domain of E. coli FeoB, GppCH2p-bound form · the same entry in another collection · chain A against A, TM-score 1.00
- P33650 · AlphaFold monomer V2.0 prediction for FE(2+) transporter feob (P33650) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 3I92 · PDBe 3I92 · UniProt P33650
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