MolNFT v1 · #115908 · protein
Crystal structure of beta carbonic anhydrase from vibrio cholerae
5CXK: “Crystal structure of beta carbonic anhydrase from vibrio cholerae”. X-ray diffraction, 2 ligands (BCT, ZN), 20 pockets (best druggability 0.78). MolNFT v1 #115908 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5CXK
- Type
- protein
- Length
- 1,776 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase
- EC
- 4.2.1.1
- UniProt
- A0A086SLX8
- Ligands
- BCT, ZN
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, H, G, D, C, F, E | Carbonic anhydrase (EC 4.2.1.1) | protein | 222 | 51% helix, 13% strand | A0A086SLX8 |
Ligands and binding sites
- BCT · Bicarbonate ion · ligand · 6 copies · chains A, B, H, G, D, C
- ZN · Zinc ion · metal · 8 copies · chains A, B, H, G, D, C, F, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 90 | 0.78 | 0.99 | 24 | empty |
| 2 | 85 | 0.77 | 0.98 | 23 | empty |
| 3 | 806 | 0.75 | 0.80 | 104 | empty |
| 4 | 630 | 0.73 | 0.80 | 84 | empty |
| 5 | 215 | 0.68 | 0.85 | 29 | empty |
Interfaces
13 interfaces between chains.
- A–B · 3234 Ų buried · 32 hydrogen bonds · protein-protein
- F–E · 3223 Ų buried · 33 hydrogen bonds · protein-protein
- H–G · 3175 Ų buried · 33 hydrogen bonds · protein-protein
- D–C · 3158 Ų buried · 35 hydrogen bonds · protein-protein
- B–D · 875 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 5CXK · Crystal structure of beta carbonic anhydrase from Vibrio cholerae · 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 A0A086SLX8
- Elsewhere: RCSB PDB 5CXK · PDBe 5CXK · UniProt A0A086SLX8
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.