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Staphylococcus aureus isda neat domain K75A variant in complex with heme

Analyse Staphylococcus aureus isda neat domain K75A variant in complex with heme in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3QZL
Type
protein
Length
121 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Iron-regulated surface determinant protein a
UniProt
Q7A655
Ligands
HEM
Pockets
1 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 9% helix, 60% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AIron-regulated surface determinant protein aprotein1219% helix, 60% strandQ7A655

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1870.490.8218HEM

Compared structures

  • 3QZL · Staphylococcus aureus IsdA NEAT domain K75A variant in complex with heme · the same entry in another collection · chain A against A, TM-score 1.00
  • Q7A655 · AlphaFold monomer V2.0 prediction for iron-regulated surface determinant protein a… · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

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