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MolNFT v1 · #39134 · protein

Carbonic anhydrase activators: solution and X-ray crystallography for the interaction of andrenaline with various carbonic anhydrase isoforms

2HKK · Carbonic anhydrase 2: “Carbonic anhydrase activators: solution and X-ray crystallography for the interaction of andrenaline with…”. X-ray diffraction, 3 ligands (ALE, ZN, HG), 1 pocket (best druggability 0.53). MolNFT v1 #39134 on…

PDB
2HKK
Type
protein
Length
256 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Carbonic anhydrase 2
EC
4.2.1.1
UniProt
P00918
Ligands
ALE, ZN, HG
Pockets
1 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACarbonic anhydrase 2 (EC 4.2.1.1)protein25615% helix, 31% strandP00918

Ligands and binding sites

  • ALE · L-epinephrine · ligand · chains A
  • ZN · Zinc ion · metal · chains A
  • HG · Mercury (II) ion · metal · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11370.530.8026ALE

Compared structures

  • 2HKK · Carbonic anhydrase activators: Solution and X-ray crystallography for the interaction of… · 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

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