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MolNFT v1 · #13580 · protein

Crystal structure analysis of hca II mutant T199P in complex with bicarbonate

1LGD · Carbonic anhydrase II: “Crystal structure analysis of hca II mutant T199P in complex with bicarbonate”. X-ray diffraction, 2 ligands (BCT, ZN), 1 pocket (best druggability 0.56). MolNFT v1 #13580 on GenesisL1: 3D structure, binding…

PDB
1LGD
Type
protein
Length
257 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Carbonic anhydrase II
EC
4.2.1.1
UniProt
P00918
Ligands
BCT, ZN
Pockets
1 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACarbonic anhydrase II (EC 4.2.1.1)protein25714% helix, 30% strandP00918

Ligands and binding sites

  • BCT · Bicarbonate ion · 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

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11550.560.8127BCT

Compared structures

  • 1LGD · Crystal Structure Analysis of HCA II Mutant T199P in Complex with Bicarbonate · 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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