MolNFT v1 · #87554 · protein
Structure of beta-phosphoglucomutase in complex with an alpha- fluorophosphonate analogue of beta-glucose-1-phosphate and magnesium trifluoride
4C4S: “Structure of beta-phosphoglucomutase in complex with an alpha- fluorophosphonate analogue of…”. X-ray diffraction, 3 ligands (GRX, MGF, MG), 2 pockets (best druggability 0.67). MolNFT v1 #87554 on GenesisL1: 3D structure, binding…
- PDB
- 4C4S
- Type
- protein
- Length
- 215 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-phosphoglucomutase
- EC
- 5.4.2.6
- UniProt
- P71447
- Ligands
- GRX, MGF, MG
- Pockets
- 2 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-phosphoglucomutase (EC 5.4.2.6) | protein | 215 | 50% helix, 12% strand | P71447 |
Ligands and binding sites
- GRX · (1R)-1,5-anhydro-1-[(S)-fluoro(phosphono)methyl]-D-glucitol · ligand · chains A
- MGF · Trifluoromagnesate · ligand · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 169 | 0.67 | 0.87 | 33 | GRX, MGF |
| 2 | 133 | 0.45 | 0.77 | 20 | empty |
Compared structures
- 4C4S · Structure of beta-phosphoglucomutase in complex with an alpha- fluorophosphonate analogue… · 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 0.99
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 4C4S · PDBe 4C4S · UniProt P71447
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