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MolNFT v1 · #151935 · protein

Human carbonic anhydrase II in complex with 4- propoxybenzenesulfonamide

6I2F · Carbonic anhydrase 2: “Human carbonic anhydrase II in complex with 4- propoxybenzenesulfonamide”. X-ray diffraction, 5 ligands (MBO, 3W6, BGC), 1 pocket (best druggability 0.54). MolNFT v1 #151935 on GenesisL1: 3D structure, binding…

PDB
6I2F
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
MBO, 3W6, BGC, HG, ZN
Pockets
1 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACarbonic anhydrase 2 (EC 4.2.1.1)protein25716% helix, 32% strandP00918

Ligands and binding sites

  • MBO · Mercuribenzoic acid · ligand · chains A
  • 3W6 · 4-propoxybenzenesulfonamide · ligand · chains A
  • BGC · beta-D-glucopyranose · sugar · chains A
  • HG · Mercury (II) ion · metal · 2 copies · 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
11140.540.83243W6

Compared structures

  • 6I2F · Human Carbonic Anhydrase II in complex with 4-Propoxybenzenesulfonamide · 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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