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Crystal structure of neat domain from staphylococcus aureus in complex with heme

Analyse Crystal structure of neat domain from staphylococcus aureus 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
2Z6F
Type
protein
Length
112 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Iron-regulated surface determinant protein H
UniProt
Q931P4
Ligands
HEM
Pockets
1 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 12% helix, 62% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AIron-regulated surface determinant protein Hprotein11212% helix, 62% strandQ931P4

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 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
1780.490.8318HEM

Compared structures

  • 2Z6F · Crystal structure of NEAT domain from Staphylococcus aureus in complex with heme · the same entry in another collection · chain A against A, TM-score 1.00
  • Q931P4 · AlphaFold monomer V2.0 prediction for iron-regulated surface determinant protein H… · a predicted model of the same protein · chain A against A, TM-score 0.98

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