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MolNFT v1 · #172870 · protein

Human carbonic anhydrase II in complex with 4-(2-aminoethylsulfanyl)- 2,3,5,6-tetrafluoro-N-methyl-benzenesulfonamide

7AGN: “Human carbonic anhydrase II in complex with 4-(2-aminoethylsulfanyl)…”. X-ray diffraction, 4 ligands (RAK, BCN, ZN). MolNFT v1 #172870 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7AGN
Type
protein
Length
1,032 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P00918
Ligands
RAK, BCN, ZN, NA

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D—protein258—P00918

Ligands and binding sites

  • RAK · 4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-benzenesulfonamide · ligand · 4 copies · chains A, B, C, D
  • BCN · Bicine · ligand · 4 copies · chains A, B, C, D
  • ZN · Zinc ion · metal · 4 copies · chains A, B, C, D
  • NA · Sodium ion · metal · 4 copies · chains A, B, D

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

Compared structures

  • 7AGN · Human carbonic anhydrase II in complex with 4-(2-aminoethylsulfanyl)-2,3,5,6-tetrafluoro-N… · the same entry in another collection · chain D against D, 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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