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Tetrameric cytochrome CB562 (H59/D62/H63/H73/A74/H77) assembly stabilized by interprotein zinc coordination

Analyse Tetrameric cytochrome CB562 (H59/D62/H63/H73/A74/H77) assembly stabilized by… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3C62
Type
protein
Length
424 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Soluble cytochrome B562
UniProt
P0ABE7
Ligands
HEM, CA, ZN
Pockets
10 · best druggability 0.87

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DSoluble cytochrome B562protein10680% helix, 0% strandP0ABE7

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D
  • CA · Calcium ion · metal · 5 copies · chains A, B, D
  • ZN · Zinc ion · metal · 4 copies · chains A, B, D, C

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

Pockets

10 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110490.870.88111empty
21070.690.9217empty
31030.650.9019empty
4850.650.9118empty
51050.600.8718empty

Interfaces

6 interfaces between chains.

  • A–D · 675 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 656 Ų buried · 5 hydrogen bonds · protein-protein
  • B–C · 602 Ų buried · 8 hydrogen bonds · protein-protein
  • C–D · 547 Ų buried · 5 hydrogen bonds · protein-protein
  • B–D · 91 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 cofactor (heme attachment).

Compared structures

  • 3C62 · Tetrameric Cytochrome cb562 (H59/D62/H63/H73/A74/H77) Assembly Stabilized by Interprotein… · the same entry in another collection · chain D against D, 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 0.97

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