N-terminal expression tag remainder of human carbonic anhydrase II covalently modified by fragment

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 29% strand (DSSP).

Ligands and binding sites

• BE7 · (4-carboxyphenyl)(chloro)mercury · ligand · chains A
• 47J · 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine · ligand · chains A
• NA · Sodium ion · metal · 2 copies · chains A
• ZN · Zinc ion · metal · chains A
• HG · Mercury (II) ion · metal · chains A
• PG4 · Tetraethylene glycol · additive · 2 copies · chains A
• DMS · Dimethyl sulfoxide · additive · 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.

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

• 6SAC · N-terminal expression tag remainder of human Carbonic Anhydrase II covalently modified by… · 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 0.97

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 6SAC · PDBe 6SAC · UniProt P00918