MolNFT v1 · #179104 · protein
Crystal structure of salmonella enterica typhimurium bcfh
7JVE · Dsba family protein: “Crystal structure of salmonella enterica typhimurium bcfh”. X-ray diffraction, 1 ligand (MG), 17 pockets (best druggability 0.85). MolNFT v1 #179104 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7JVE
- Type
- protein
- Length
- 1,487 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dsba family protein
- UniProt
- A0A564XRN6
- Ligands
- MG
- Pockets
- 17 · best druggability 0.85
Structure
x-ray diffraction · 6 distinct chains · 60% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dsba family protein | protein | 253 | 62% helix, 11% strand | A0A564XRN6 |
| B | Dsba family protein | protein | 251 | 58% helix, 11% strand | A0A564XRN6 |
| C | Dsba family protein | protein | 248 | 59% helix, 10% strand | A0A564XRN6 |
| D | Dsba family protein | protein | 244 | 61% helix, 10% strand | A0A564XRN6 |
| E | Dsba family protein | protein | 245 | 60% helix, 10% strand | A0A564XRN6 |
| F | Dsba family protein | protein | 246 | 61% helix, 10% strand | A0A564XRN6 |
Ligands and binding sites
- MG · Magnesium ion · metal · 4 copies · chains A, B, C, F
- EDO · 1,2-ethanediol · additive · 19 copies · chains A, B, C, D, E, F
- PGE · Triethylene glycol · additive · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1163 | 0.85 | 0.86 | 96 | EDO |
| 2 | 775 | 0.80 | 0.83 | 95 | EDO |
| 3 | 273 | 0.74 | 0.87 | 44 | EDO |
| 4 | 491 | 0.72 | 0.82 | 44 | EDO |
| 5 | 60 | 0.72 | 0.98 | 18 | empty |
Interfaces
13 interfaces between chains.
- A–C · 2221 Ų buried · 19 hydrogen bonds · protein-protein
- D–E · 2164 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 1961 Ų buried · 14 hydrogen bonds · protein-protein
- E–F · 1866 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 1192 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7JVE · Crystal structure of Salmonella enterica Typhimurium BcfH · 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 A0A564XRN6
- Elsewhere: RCSB PDB 7JVE · PDBe 7JVE · UniProt A0A564XRN6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.