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Crystal structure of Aspergillus fumigatus phosphomannomutase
Analyse Crystal structure of Aspergillus fumigatus phosphomannomutase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6I5X
- Type
- protein
- Length
- 1,043 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.2
- Source
- Neosartorya fumigata
- Molecule
- Phosphomannomutase
- EC
- 5.4.2.8
- UniProt
- A0A229XZQ5
- Ligands
- MG, CL
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · resolution 2.2 · 2 distinct chains · 41% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphomannomutase (EC 5.4.2.8) | protein | 260 | 42% helix, 18% strand | A0A229XZQ5 |
| B, C, D | Phosphomannomutase (EC 5.4.2.8) | protein | 261 | 41% helix, 18% strand | A0A229XZQ5 |
Ligands and binding sites
- MG · Magnesium ion · metal · 4 copies · chains A, B, C, D
- CL · Chloride ion · ion · 2 copies · chains A, D, B, C
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1126 | 0.76 | 0.79 | 120 | MG |
| 2 | 392 | 0.67 | 0.80 | 46 | MG |
| 3 | 428 | 0.61 | 0.77 | 49 | empty |
| 4 | 366 | 0.59 | 0.76 | 44 | MG |
Interfaces
5 interfaces between chains.
- B–C · 1078 Ų buried · 26 hydrogen bonds · protein-protein
- A–D · 1041 Ų buried · 25 hydrogen bonds · protein-protein
- C–D · 186 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 168 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 157 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6I5X · Crystal structure of aspergillus fumigatus phosphomannomutase · 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 A0A229XZQ5
- Elsewhere: RCSB PDB 6I5X · PDBe 6I5X · UniProt A0A229XZQ5
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