Research workbench
Crystal structure of the extracellular domain of murine carbonic anhydrase xiv in complex with acetazolamide
Analyse Crystal structure of the extracellular domain of murine carbonic anhydrase xiv… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1RJ6
- Type
- protein
- Length
- 516 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase xiv
- EC
- 4.2.1.1
- UniProt
- Q9WVT6
- Ligands
- AZM, NAG, BMA, MAN, ZN
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 14% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonic anhydrase xiv (EC 4.2.1.1) | protein | 259 | 14% helix, 29% strand | Q9WVT6 |
| B | Carbonic anhydrase xiv (EC 4.2.1.1) | protein | 257 | 15% helix, 30% strand | Q9WVT6 |
Ligands and binding sites
- AZM · 5-acetamido-1,3,4-thiadiazole-2-sulfonamide · ligand · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar
- MAN · alpha-D-mannopyranose · sugar
- 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
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1176 | 0.74 | 0.77 | 92 | AZM |
| 2 | 188 | 0.56 | 0.80 | 25 | AZM |
| 3 | 85 | 0.35 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 286 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 1RJ6 · Crystal Structure of the Extracellular Domain of Murine Carbonic Anhydrase XIV in Complex… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9WVT6 · AlphaFold monomer V2.0 prediction for carbonic anhydrase 14 (Q9WVT6) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q9WVT6
- Elsewhere: RCSB PDB 1RJ6 · PDBe 1RJ6 · UniProt Q9WVT6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.