MolNFT v1 · #63087 · protein
Crystal structure of the C-terminal domain of E. COLI kefc in complex with keff
3EYW · C-terminal domain of glutathione-regulated potassium-efflux…: “Crystal structure of the C-terminal domain of E. COLI kefc in complex with keff”. X-ray diffraction, 4 ligands (FMN, NAD, ZN), 11 pockets (best druggability 0.74).…
- PDB
- 3EYW
- Type
- protein
- Length
- 689 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- C-terminal domain of glutathione-regulated potassium-efflux system protein kefc fused to…
- UniProt
- P03819, P0A754
- Ligands
- FMN, NAD, ZN, MG
- Pockets
- 11 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | C-terminal domain of glutathione-regulated potassium-efflux system protein kefc fused to full length glutathione-regulated potassium-efflux system ancillary protein keff | protein | 337 | 47% helix, 16% strand | P03819, P0A754 |
| B | C-terminal domain of glutathione-regulated potassium-efflux system protein kefc fused to full length glutathione-regulated potassium-efflux system ancillary protein keff | protein | 352 | 49% helix, 16% strand | P03819, P0A754 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 698 | 0.74 | 0.80 | 62 | empty |
| 2 | 406 | 0.72 | 0.83 | 51 | NAD |
| 3 | 385 | 0.61 | 0.76 | 34 | FMN |
| 4 | 355 | 0.59 | 0.76 | 34 | FMN |
| 5 | 180 | 0.52 | 0.78 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 4643 Ų buried · 53 hydrogen bonds · protein-protein
Compared structures
- 3EYW · Crystal structure of the C-terminal domain of E. coli KefC in complex with KefF · the same entry in another collection · chain A against A, TM-score 1.00
- P0A754 · AlphaFold monomer V2.0 prediction for glutathione-regulated potassium-efflux system… · a predicted model of the same protein · chain A against A, TM-score 0.51
- P03819 · AlphaFold monomer V2.0 prediction for glutathione-regulated potassium-efflux system… · a predicted model of the same protein · chain B against A, TM-score 0.50
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 P03819
- Every structure of UniProt P0A754
- Elsewhere: RCSB PDB 3EYW · PDBe 3EYW · UniProt P03819 · UniProt P0A754
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