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LEU(142)G4ALA mutation of M.ACETIVORANS protoglobin in complex with cyanide

Analyse LEU(142)G4ALA mutation of M.ACETIVORANS protoglobin in complex with cyanide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3ZJL
Type
protein
Length
382 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protoglobin
UniProt
Q8TLY9
Ligands
HEM, CYN
Pockets
2 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 65% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BProtoglobinprotein19165% helix, 2% strandQ8TLY9

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
  • CYN · Cyanide ion · ion · 2 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13100.860.9634HEM, CYN
23130.860.9539HEM, CYN

Interfaces

1 interface between chains.

  • A–B · 1934 Ų buried · 31 hydrogen bonds · protein-protein

Compared structures

  • 3ZJL · Leu(142)G4Ala mutation of M.acetivorans protoglobin in complex with cyanide · the same entry in another collection · chain A against A, TM-score 1.00

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