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Oxya from actinoplanes teichomyceticus

Analyse Oxya from actinoplanes teichomyceticus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5HH3
Type
protein
Length
774 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Oxya protein
UniProt
Q6ZZI8
Ligands
HEM
Pockets
6 · best druggability 0.87

Structure

x-ray diffraction · 2 distinct chains · 58% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AOxya proteinprotein38158% helix, 10% strandQ6ZZI8
COxya proteinprotein39359% helix, 10% strandQ6ZZI8

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, C
  • GOL · Glycerol · additive · 9 copies · chains A, C
  • ACT · Acetate ion · additive · 3 copies · chains A, C

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

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19700.870.88110HEM, GOL
210550.790.80108HEM, ACT
31380.570.8321empty
4530.330.7813GOL
5770.290.7214empty

Interfaces

1 interface between chains.

  • A–C · 1624 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 5HH3 · OxyA from Actinoplanes teichomyceticus · the same entry in another collection · chain A against A, TM-score 1.00

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