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MolNFT v1 · #168757 · protein

Carbonic anhydrase II complexed with 3-((2-((naphthalen-2-YLMETHYL)(4- SULFAMOYLPHENETHYL)AMINO)-2-OXOETHYL)(PHENETHYL)AMINO)PROPANOIC acid

6WQ9 · Carbonic anhydrase 2: “Carbonic anhydrase II complexed with 3-((2-((naphthalen-2-YLMETHYL)(4…”. X-ray diffraction, 2 ligands (U7J, ZN), 1 pocket (best druggability 0.57). MolNFT v1 #168757 on GenesisL1: 3D structure, binding sites…

PDB
6WQ9
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
U7J, ZN
Pockets
1 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACarbonic anhydrase 2 (EC 4.2.1.1)protein25716% helix, 31% strandP00918

Ligands and binding sites

  • U7J · N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl) ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine · ligand · chains A
  • ZN · Zinc ion · metal · chains A
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
  • GOL · Glycerol · additive · 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
11510.570.8225GOL

Compared structures

  • 6WQ9 · Carbonic Anhydrase II Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphenethyl)a… · 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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