MolNFT v1 · #111123 · protein
Crystal structure of a siderophore utilization protein from T. fusca
4YHB · Iron-chelator utilization protein: “Crystal structure of a siderophore utilization protein from T. fusca”. X-ray diffraction, 2 ligands (FAD, ZN), 5 pockets (best druggability 0.78). MolNFT v1 #111123 on GenesisL1: 3D structure…
- PDB
- 4YHB
- Type
- protein
- Length
- 523 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Iron-chelator utilization protein
- UniProt
- R9F6K7
- Ligands
- FAD, ZN
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 16% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Iron-chelator utilization protein | protein | 261 | 16% helix, 36% strand | R9F6K7 |
| B | Iron-chelator utilization protein | protein | 262 | 15% helix, 35% strand | R9F6K7 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 782 | 0.78 | 0.82 | 75 | FAD |
| 2 | 336 | 0.73 | 0.85 | 45 | FAD |
| 3 | 258 | 0.58 | 0.79 | 30 | empty |
| 4 | 235 | 0.56 | 0.78 | 36 | MPD |
| 5 | 72 | 0.35 | 0.77 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 346 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4YHB · Crystal structure of a siderophore utilization protein from T. fusca · the same entry in another collection · chain A against A, 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 R9F6K7
- Elsewhere: RCSB PDB 4YHB · PDBe 4YHB · UniProt R9F6K7
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