MolNFT v1 · #81219 · protein
The crystal structure of the CD-bound domain 3 of the cadmium carbonic anhydrase from marine diatom thalassiosira weissflogii
3UK8 · Cadmium-specific carbonic anhydrase: “The crystal structure of the CD-bound domain 3 of the cadmium carbonic anhydrase from marine diatom…”. X-ray diffraction, 1 ligand (CD), 2 pockets (best druggability 0.52). MolNFT v1 #81219 on…
- PDB
- 3UK8
- Type
- protein
- Length
- 423 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cadmium-specific carbonic anhydrase
- EC
- 4.2.1.1
- UniProt
- Q50EL4
- Ligands
- CD
- Pockets
- 2 · best druggability 0.52
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cadmium-specific carbonic anhydrase (EC 4.2.1.1) | protein | 214 | 36% helix, 20% strand | Q50EL4 |
| B | Cadmium-specific carbonic anhydrase (EC 4.2.1.1) | protein | 209 | 34% helix, 20% strand | Q50EL4 |
Ligands and binding sites
- CD · Cadmium ion · metal · 2 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 185 | 0.52 | 0.78 | 23 | empty |
| 2 | 56 | 0.45 | 0.83 | 26 | ACT |
Interfaces
1 interface between chains.
- A–B · 593 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 3UK8 · The crystal structure of the cd-bound domain 3 of the cadmium carbonic anhydrase from… · 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 Q50EL4
- Elsewhere: RCSB PDB 3UK8 · PDBe 3UK8 · UniProt Q50EL4
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