Research workbench
Crystal structure of the human carbonic anhydrase xiii in complex with acetazolamide
Analyse Crystal structure of the human carbonic anhydrase xiii in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3CZV
- Type
- protein
- Length
- 516 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase 13
- EC
- 4.2.1.1
- UniProt
- Q8N1Q1
- Ligands
- AZM, ZN
- Pockets
- 4 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 14% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonic anhydrase 13 (EC 4.2.1.1) | protein | 258 | 14% helix, 30% strand | Q8N1Q1 |
| B | Carbonic anhydrase 13 (EC 4.2.1.1) | protein | 258 | 15% helix, 31% strand | Q8N1Q1 |
Ligands and binding sites
- AZM · 5-acetamido-1,3,4-thiadiazole-2-sulfonamide · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 947 | 0.86 | 0.88 | 106 | AZM |
| 2 | 173 | 0.53 | 0.79 | 31 | empty |
| 3 | 132 | 0.45 | 0.77 | 33 | empty |
| 4 | 131 | 0.38 | 0.73 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 815 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3CZV · Crystal structure of the human carbonic anhydrase XIII in complex with acetazolamide · the same entry in another collection · chain A against A, TM-score 1.00
- Q8N1Q1 · AlphaFold monomer V2.0 prediction for carbonic anhydrase 13 (Q8N1Q1) · a predicted model of the same protein · chain B 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 Q8N1Q1
- Elsewhere: RCSB PDB 3CZV · PDBe 3CZV · UniProt Q8N1Q1
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