MolNFT v1 · #117025 · protein
Crystal structure of the catalytic-domain of human carbonic anhydrase IX at 1.6 ångström resolution
5DVX · Carbonic anhydrase 9: “Crystal structure of the catalytic-domain of human carbonic anhydrase IX at 1.6 ångström resolution”. X-ray diffraction, 2 ligands (ZN, CL), 4 pockets (best druggability 0.72). MolNFT v1 #117025 on GenesisL1…
- PDB
- 5DVX
- Type
- protein
- Length
- 515 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase 9
- EC
- 4.2.1.1
- UniProt
- Q16790
- Ligands
- ZN, CL
- Pockets
- 4 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 15% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonic anhydrase 9 (EC 4.2.1.1) | protein | 260 | 15% helix, 33% strand | Q16790 |
| B | Carbonic anhydrase 9 (EC 4.2.1.1) | protein | 255 | 15% helix, 34% strand | Q16790 |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains A, B
- CL · Chloride ion · ion · 3 copies · chains A, B
- GOL · Glycerol · additive · 6 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
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 | 845 | 0.72 | 0.77 | 84 | CL, ZN, GOL |
| 2 | 203 | 0.54 | 0.78 | 24 | GOL |
| 3 | 96 | 0.42 | 0.78 | 18 | empty |
| 4 | 59 | 0.37 | 0.79 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 876 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 5DVX · Crystal structure of the catalytic-domain of human carbonic anhydrase IX at 1.6 angstrom… · the same entry in another collection · chain A against A, TM-score 1.00
- Q16790 · AlphaFold monomer V2.0 prediction for carbonic anhydrase 9 (Q16790) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q16790
- Elsewhere: RCSB PDB 5DVX · PDBe 5DVX · UniProt Q16790
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.