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MolNFT v1 · #125885 · protein

The crystal structure of hca II in complex with a benzoxaborole inhibitor

5LMD: “The crystal structure of hca II in complex with a benzoxaborole inhibitor”. X-ray diffraction, 2 ligands (RC4, ZN). MolNFT v1 #125885 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5LMD
Type
protein
Length
257 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P00918
Ligands
RC4, ZN

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein257—P00918

Ligands and binding sites

  • RC4 · 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(2-methoxy-5-methyl-phenyl)urea · ligand · chains A
  • ZN · Zinc ion · metal · chains A

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

Compared structures

  • 5LMD · The crystal structure of hCA II in complex with a benzoxaborole inhibitor · 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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