MolNFT v1 · #68354 · protein
The cbs domain pair structure of a magnesium and cobalt efflux protein from bordetella parapertussis in complex with AMP
3JTF: “The cbs domain pair structure of a magnesium and cobalt efflux protein from bordetella parapertussis in…”. X-ray diffraction, 2 ligands (AMP, SO4), 1 pocket (best druggability 0.72). MolNFT v1 #68354 on GenesisL1: 3D structure…
- PDB
- 3JTF
- Type
- protein
- Length
- 249 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Magnesium and cobalt efflux protein
- UniProt
- Q7WB69
- Ligands
- AMP, SO4
- Pockets
- 1 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Magnesium and cobalt efflux protein | protein | 124 | 39% helix, 26% strand | Q7WB69 |
| B | Magnesium and cobalt efflux protein | protein | 125 | 39% helix, 26% strand | Q7WB69 |
Ligands and binding sites
- AMP · Adenosine monophosphate · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 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 | 766 | 0.72 | 0.78 | 60 | AMP, SO4 |
Interfaces
1 interface between chains.
- A–B · 1203 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 3JTF · The CBS Domain Pair Structure of a magnesium and cobalt efflux protein from Bordetella… · 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 Q7WB69
- Elsewhere: RCSB PDB 3JTF · PDBe 3JTF · UniProt Q7WB69
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