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Human carbonic anhydrase II in complex with fluorinated benzenesulfonamide and its dimer

Analyse Human carbonic anhydrase II in complex with fluorinated benzenesulfonamide and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6SD7
Type
protein
Length
257 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
BE7, L7T, SXG, BGC, ZN, HG
Pockets
1 · best druggability 0.56

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
ACarbonic anhydrase 2 (EC 4.2.1.1)protein25715% helix, 31% strandP00918

Ligands and binding sites

  • BE7 · (4-carboxyphenyl)(chloro)mercury · ligand · chains A
  • L7T · 2,3,4,5,6-pentafluorobenzenesulfonamide · ligand · chains A
  • SXG · 2,3,4,5,6-pentafluoro-N-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)benzenesulfonamide · ligand · chains A
  • BGC · beta-D-glucopyranose · sugar · 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
11510.560.8128L7T

Compared structures

  • 6SD7 · Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide and its dimer · 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 0.99

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