MolNFT v1 · #150948 · protein
Beta-phosphoglucomutase from lactococcus lactis in an open conformer complexed with magnesium trifluoride to 1.8 a.
6H8X: “Beta-phosphoglucomutase from lactococcus lactis in an open conformer complexed with magnesium trifluoride to…”. X-ray diffraction, 2 ligands (MGF, MG), 2 pockets (best druggability 0.74). MolNFT v1 #150948 on GenesisL1: 3D…
- PDB
- 6H8X
- Type
- protein
- Length
- 438 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-phosphoglucomutase
- EC
- 5.4.2.6
- UniProt
- P71447
- Ligands
- MGF, MG
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Beta-phosphoglucomutase (EC 5.4.2.6) | protein | 219 | 53% helix, 11% strand | P71447 |
Ligands and binding sites
- MGF · Trifluoromagnesate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 8 copies · chains A, B
- ACT · Acetate ion · additive · chains A
- PDO · 1,3-propandiol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 679 | 0.74 | 0.80 | 57 | EDO, MGF |
| 2 | 730 | 0.71 | 0.78 | 56 | EDO, MGF, ACT |
Interfaces
1 interface between chains.
- A–B · 598 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6H8X · Beta-phosphoglucomutase from Lactococcus lactis in an open conformer complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- P71447 · AlphaFold monomer V2.0 prediction for beta-phosphoglucomutase (P71447) · a predicted model of the same protein · chain A against A, TM-score 0.86
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 P71447
- Elsewhere: RCSB PDB 6H8X · PDBe 6H8X · UniProt P71447
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