MolNFT v1 · #52585 · protein
Crystal structure of the vibrio cholerae ferric uptake regulator (fur) reveals structural rearrangement of the DNA-binding domains
2W57 · Ferric uptake regulation protein: “Crystal structure of the vibrio cholerae ferric uptake regulator (fur) reveals structural rearrangement of…”. X-ray diffraction, 1 ligand (ZN), 1 pocket (best druggability 0.64). MolNFT v1 #52585…
- PDB
- 2W57
- Type
- protein
- Length
- 262 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferric uptake regulation protein
- UniProt
- P0C6C8
- Ligands
- ZN
- Pockets
- 1 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Ferric uptake regulation protein | protein | 131 | 45% helix, 25% strand | P0C6C8 |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 411 | 0.64 | 0.78 | 51 | empty |
Interfaces
1 interface between chains.
- A–B · 1367 Ų buried · 25 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2W57 · Crystal structure of the Vibrio cholerae ferric uptake regulator (Fur) reveals structural… · the same entry in another collection · chain A against A, TM-score 1.00
- P0C6C8 · AlphaFold monomer V2.0 prediction for ferric uptake regulation protein (P0C6C8) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 P0C6C8
- Elsewhere: RCSB PDB 2W57 · PDBe 2W57 · UniProt P0C6C8
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