MolNFT v1 · #105588 · protein
Chimera of the N-terminal domain of E. COLI feob
4R98 · Ferrous iron transport protein B: “Chimera of the N-terminal domain of E. COLI feob”. X-ray diffraction, 1 ligand (GNH), 4 pockets (best druggability 0.79). MolNFT v1 #105588 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4R98
- Type
- protein
- Length
- 517 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferrous iron transport protein B
- UniProt
- P33650
- Ligands
- GNH
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferrous iron transport protein B | protein | 256 | 49% helix, 15% strand | P33650 |
| B | Ferrous iron transport protein B | protein | 261 | 48% helix, 17% strand | P33650 |
Ligands and binding sites
- GNH · Aminophosphonic acid-guanylate ester · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 1029 | 0.79 | 0.81 | 80 | GNH |
| 2 | 206 | 0.54 | 0.78 | 24 | empty |
| 3 | 206 | 0.52 | 0.77 | 23 | empty |
| 4 | 53 | 0.26 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 385 Ų buried · 4 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 4R98 · PDBe 4R98 · UniProt P33650
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