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MolNFT v1 · #77472 · protein

Crystal structure of the W5E mutant of human carbonic anhydrase II

3RG3 · Carbonic anhydrase 2: “Crystal structure of the W5E mutant of human carbonic anhydrase II”. X-ray diffraction, 1 ligand (ZN), 1 pocket (best druggability 0.54). MolNFT v1 #77472 on GenesisL1: 3D structure, binding sites and pockets…

PDB
3RG3
Type
protein
Length
255 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
ZN
Pockets
1 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACarbonic anhydrase 2 (EC 4.2.1.1)protein25516% helix, 30% strandP00918

Ligands and binding sites

  • ZN · Zinc 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
11310.540.8127empty

Compared structures

  • 3RG3 · Crystal structure of the W5E mutant of human carbonic anhydrase II · 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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