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Expression tag modified N-terminus of human carbonic anhydrase II covalently linked to fragment

Analyse Expression tag modified N-terminus of human carbonic anhydrase II covalently… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6S9Z
Type
protein
Length
265 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, L2K, NA, HG, ZN, FOR
Pockets
2 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACarbonic anhydrase 2 (EC 4.2.1.1)protein26516% helix, 29% strandP00918

Ligands and binding sites

  • BE7 · (4-carboxyphenyl)(chloro)mercury · ligand · chains A
  • L2K · 3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine · ligand · chains A
  • NA · Sodium ion · metal · 2 copies · chains A
  • HG · Mercury (II) ion · metal · chains A
  • ZN · Zinc ion · metal · chains A
  • FOR · Formyl group · ion · chains A
  • DMS · Dimethyl sulfoxide · additive · chains A
  • PG4 · Tetraethylene glycol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11250.510.8025empty
21400.450.7624empty

Compared structures

  • 6S9Z · Expression tag modified N-terminus of human Carbonic Anhydrase II covalently linked to… · 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 0.97

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