MolNFT v1 · #143869 · protein
Joint X-RAY/NEUTRON structure of human carbonic anhydrase II in complex with dorzolamide
6BC9 · Carbonic anhydrase 2: “Joint X-RAY/NEUTRON structure of human carbonic anhydrase II in complex with dorzolamide”. X-ray diffraction; neutron diffraction, 2 ligands (ETS, ZN), 3 pockets (best druggability 0.59). MolNFT v1 #143869 on…
- PDB
- 6BC9
- Type
- protein
- Length
- 257 residues
- Chains
- 1
- Method
- x-ray diffraction; neutron diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase 2
- EC
- 4.2.1.1
- UniProt
- P00918
- Ligands
- ETS, ZN
- Pockets
- 3 · best druggability 0.59
Structure
x-ray diffraction; neutron diffraction · 1 distinct chain · 16% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonic anhydrase 2 (EC 4.2.1.1) | protein | 257 | 16% helix, 30% strand | P00918 |
Ligands and binding sites
- ETS · (4S-trans)-4-(ethylamino)-5,6-dihydro-6-methyl-4H-thieno(2,3-b)thiopyran-2-sulfonamide-7,7-dioxide · ligand · chains A
- ZN · Zinc ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 169 | 0.59 | 0.82 | 27 | ETS |
| 2 | 53 | 0.25 | 0.73 | 11 | empty |
| 3 | 50 | 0.24 | 0.73 | 15 | empty |
Compared structures
- 6BC9 · Joint X-ray/neutron structure of human carbonic anhydrase II in complex with dorzolamide · the same entry in another collection · chain A against A, TM-score 1.00
- P00918 · AlphaFold monomer V2.0 prediction for carbonic anhydrase 2 (P00918) · a predicted model of the same protein · 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 P00918
- Elsewhere: RCSB PDB 6BC9 · PDBe 6BC9 · UniProt P00918
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.