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Co-bound crystal structure of the engineered cyt cb562 variant, DiCyt2

Analyse Co-bound crystal structure of the engineered cyt cb562 variant, DiCyt2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7MK4
Type
protein
Length
212 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.27
Source
Escherichia coli
Molecule
Soluble cytochrome b562
UniProt
P0ABE7
Ligands
HEC, CO
Pockets
2 · best druggability 0.75

Structure

x-ray diffraction · resolution 1.27 · 1 distinct chain · 80% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BSoluble cytochrome b562protein10680% helix, 0% strandP0ABE7

Ligands and binding sites

  • HEC · Heme C · ligand · 2 copies · chains A, B
  • CO · Cobalt (II) ion · metal · 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
14510.750.8457HEC
21210.530.8120HEC

Interfaces

1 interface between chains.

  • A–B · 393 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 cofactor, 1 disulfide (heme c attachment, disulfide).

Compared structures

  • 7MK4 · Co-bound crystal structure of the engineered cyt CB562 variant, DICYT2 · the same entry in another collection · chain A against A, TM-score 1.00
  • P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain B against A, TM-score 0.95

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