MolNFT v1 · #173919 · protein
Zn-bound domain 3 of CDCA1 in complex with carbon dioxide
7BF0 · Cadmium-specific carbonic anhydrase: “Zn-bound domain 3 of CDCA1 in complex with carbon dioxide”. X-ray diffraction, 3 ligands (ZN, CO2, CL), 1 pocket (best druggability 0.54). MolNFT v1 #173919 on GenesisL1: 3D structure, binding…
- PDB
- 7BF0
- Type
- protein
- Length
- 423 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cadmium-specific carbonic anhydrase
- UniProt
- Q50EL4
- Ligands
- ZN, CO2, CL
- Pockets
- 1 · best druggability 0.54
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cadmium-specific carbonic anhydrase | protein | 214 | 36% helix, 20% strand | Q50EL4 |
| B | Cadmium-specific carbonic anhydrase | protein | 209 | 37% helix, 20% strand | Q50EL4 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
- CO2 · Carbon dioxide · ion · 2 copies · chains A, B
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 204 | 0.54 | 0.78 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 551 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 7BF0 · Zn-bound domain 3 of CDCA1 in complex with carbon dioxide · 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 7BF0 · PDBe 7BF0 · UniProt Q50EL4
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