MolNFT v1 · #149872 · protein
Joint neutron and X-ray crystal structure of human carbonic anhydrase IX mimic (saccharin-sugar conjugate complex)
6GCY · Carbonic anhydrase 2: “Joint neutron and X-ray crystal structure of human carbonic anhydrase IX mimic (saccharin-sugar conjugate…”. X-ray diffraction; neutron diffraction, 2 ligands (3QR, ZN), 2 pockets (best druggability 0.56).…
- PDB
- 6GCY
- Type
- protein
- Length
- 258 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
- 3QR, ZN
- Pockets
- 2 · best druggability 0.56
Structure
x-ray diffraction; neutron diffraction · 1 distinct chain · 15% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonic anhydrase 2 (EC 4.2.1.1) | protein | 258 | 15% helix, 31% strand | P00918 |
Ligands and binding sites
- 3QR · [1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]methyl alpha-L-idopyranoside · 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
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 | 165 | 0.56 | 0.81 | 25 | 3QR |
| 2 | 53 | 0.25 | 0.73 | 14 | empty |
Compared structures
- 6GCY · Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic… · 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 6GCY · PDBe 6GCY · UniProt P00918
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.