MolNFT v1 · #66719 · protein
Structural basis of GDP release and gating in G protein coupled FE2+ transport
3HYT · Ferrous iron transport protein B: “Structural basis of GDP release and gating in G protein coupled FE2+ transport”. X-ray diffraction, 2 ligands (AGO, MG), 11 pockets (best druggability 0.70). MolNFT v1 #66719 on GenesisL1: 3D…
- PDB
- 3HYT
- Type
- protein
- Length
- 730 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferrous iron transport protein B
- UniProt
- P33650
- Ligands
- AGO, MG
- Pockets
- 11 · best druggability 0.70
Structure
x-ray diffraction · 3 distinct chains · 51% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferrous iron transport protein B | protein | 245 | 49% helix, 17% strand | P33650 |
| B | Ferrous iron transport protein B | protein | 244 | 53% helix, 16% strand | P33650 |
| C | Ferrous iron transport protein B | protein | 241 | 49% helix, 15% strand | P33650 |
Ligands and binding sites
- AGO · 2-amino-9-(5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3-O-{[2-(methylamino)phenyl]carbonyl}-beta-D-erythro-pentofuranosyl-2-ulose)-1,9-dihydro-6H-purin-6-one · 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
11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 687 | 0.70 | 0.78 | 64 | empty |
| 2 | 313 | 0.63 | 0.79 | 29 | empty |
| 3 | 310 | 0.62 | 0.79 | 29 | empty |
| 4 | 291 | 0.61 | 0.79 | 31 | empty |
| 5 | 181 | 0.60 | 0.82 | 35 | empty |
Interfaces
3 interfaces between chains.
- A–B · 884 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 713 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 683 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 3HYT · Structural Basis of GDP Release and Gating in G Protein Coupled Fe2+ Transport · 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 A against A, TM-score 0.98
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 3HYT · PDBe 3HYT · UniProt P33650
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