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The structural basis of the beta-carbonic anhydrase cafd (E54A mutant) of the filamentous fungus aspergillus fumigatus
Analyse The structural basis of the beta-carbonic anhydrase cafd (E54A mutant) of the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6LAI
- Type
- protein
- Length
- 344 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase
- EC
- 4.2.1.1
- UniProt
- A4DA31
- Ligands
- ZN
- Pockets
- 5 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Carbonic anhydrase (EC 4.2.1.1) | protein | 172 | 40% helix, 20% strand | A4DA31 |
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
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 157 | 0.51 | 0.79 | 36 | empty |
| 2 | 70 | 0.35 | 0.77 | 21 | empty |
| 3 | 61 | 0.32 | 0.76 | 12 | empty |
| 4 | 51 | 0.30 | 0.76 | 10 | empty |
| 5 | 56 | 0.29 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1289 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6LAI · The structural basis of the beta-carbonic anhydrase CafD (E54A mutant) of the filamentous… · 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 A4DA31
- Elsewhere: RCSB PDB 6LAI · PDBe 6LAI · UniProt A4DA31
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