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Siderophore hydrolase estb from aspergillus fumigatus in complex with tafc

Analyse Siderophore hydrolase estb from aspergillus fumigatus in complex with tafc in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6GUR
Type
protein
Length
561 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q4WF29
Ligands
FN8, FE, CO3

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein279—Q4WF29
B—protein282—Q4WF29

Ligands and binding sites

  • FN8 · (~{Z})-5-[(1~{S},2~{S})-2-acetamido-1-oxidanyl-5-[oxidanyl(propanoyl)amino]pentoxy]-~{N},3-dimethyl-~{N}-oxidanyl-pent-2-enamide · ligand · 2 copies · chains A, B
  • FE · Fe (III) ion · metal · 2 copies
  • CO3 · Carbonate ion · ion · 2 copies · chains B
  • GOL · Glycerol · additive · 6 copies · chains A, B

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

Compared structures

  • 6GUR · Siderophore hydrolase EstB from Aspergillus fumigatus in complex with TAFC · the same entry in another collection · chain A against A, TM-score 1.00
  • Q4WF29 · AlphaFold monomer V2.0 prediction for siderophore triacetylfusarinine C esterase (Q4WF29) · a predicted model of the same protein · chain A against A, TM-score 1.00

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