MolNFT v1 · #66880 · protein
Structure of a phosphoglucosamine mutase from francisella tularensis
3I3W: “Structure of a phosphoglucosamine mutase from francisella tularensis”. X-ray diffraction, 1 ligand (ZN), 9 pockets (best druggability 0.73). MolNFT v1 #66880 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3I3W
- Type
- protein
- Length
- 881 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoglucosamine mutase
- EC
- 5.4.2.10
- UniProt
- Q5NII8
- Ligands
- ZN
- Pockets
- 9 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphoglucosamine mutase (EC 5.4.2.10) | protein | 441 | 37% helix, 22% strand | Q5NII8 |
| B | Phosphoglucosamine mutase (EC 5.4.2.10) | protein | 440 | 36% helix, 20% strand | Q5NII8 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 243 | 0.73 | 0.87 | 36 | empty |
| 2 | 281 | 0.72 | 0.86 | 37 | empty |
| 3 | 82 | 0.63 | 0.90 | 17 | empty |
| 4 | 90 | 0.62 | 0.89 | 16 | empty |
| 5 | 175 | 0.43 | 0.74 | 29 | empty |
Interfaces
1 interface between chains.
- A–B · 1154 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 modified (engineered, phosphorylation).
Compared structures
- 3I3W · Structure of a phosphoglucosamine mutase from Francisella tularensis · the same entry in another collection · chain A against A, TM-score 1.00
- Q5NII8 · AlphaFold monomer V2.0 prediction for phosphoglucosamine mutase (Q5NII8) · 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 Q5NII8
- Elsewhere: RCSB PDB 3I3W · PDBe 3I3W · UniProt Q5NII8
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