MolNFT v1 · #147834 · protein
Enterococcus faecalis fic protein in complex with ADP.
6EP5 · Fic family protein: “Enterococcus faecalis fic protein in complex with ADP.”. X-ray diffraction, 1 ligand (ADP), 14 pockets (best druggability 0.85). MolNFT v1 #147834 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6EP5
- Type
- protein
- Length
- 1,200 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fic family protein
- UniProt
- U6S0Y1
- Ligands
- ADP
- Pockets
- 14 · best druggability 0.85
Structure
x-ray diffraction · 4 distinct chains · 62% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Fic family protein | protein | 202 | 63% helix, 5% strand | U6S0Y1 |
| B | Fic family protein | protein | 192 | 63% helix, 4% strand | U6S0Y1 |
| C, F | Fic family protein | protein | 203 | 61% helix, 5% strand | U6S0Y1 |
| E | Fic family protein | protein | 198 | 60% helix, 4% strand | U6S0Y1 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 825 | 0.85 | 0.88 | 81 | ADP |
| 2 | 735 | 0.84 | 0.87 | 85 | ADP |
| 3 | 510 | 0.83 | 0.89 | 66 | ADP |
| 4 | 410 | 0.82 | 0.90 | 81 | empty |
| 5 | 324 | 0.80 | 0.91 | 51 | empty |
Interfaces
12 interfaces between chains.
- A–D · 1137 Ų buried · 31 hydrogen bonds · protein-protein
- B–C · 1130 Ų buried · 28 hydrogen bonds · protein-protein
- E–F · 1122 Ų buried · 26 hydrogen bonds · protein-protein
- A–F · 523 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 518 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 6EP5 · Enterococcus faecalis FIC protein in complex with ADP. · 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 U6S0Y1
- Elsewhere: RCSB PDB 6EP5 · PDBe 6EP5 · UniProt U6S0Y1
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