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MolNFT v1 · #146973 · protein

CO(II)-bound structure of the engineered cyt CB562 variant, H3

6DYI · Soluble cytochrome B562: “CO(II)-bound structure of the engineered cyt CB562 variant, H3”. X-ray diffraction, 4 ligands (HEC, CA, CO), 1 pocket (best druggability 0.59). MolNFT v1 #146973 on GenesisL1: 3D structure, binding sites…

PDB
6DYI
Type
protein
Length
106 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Soluble cytochrome B562
UniProt
P0ABE7
Ligands
HEC, CA, CO, CL
Pockets
1 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 76% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BSoluble cytochrome B562protein10676% helix, 0% strandP0ABE7

Ligands and binding sites

  • HEC · Heme C · ligand · chains B
  • CA · Calcium ion · metal · 6 copies · chains B
  • CO · Cobalt (II) ion · metal · chains B
  • CL · Chloride ion · ion · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11920.590.8128HEC

Modifications

Observed in the structure: 2 cofactor (heme c attachment).

Compared structures

  • 6DYI · Co(II)-bound structure of the engineered cyt cb562 variant, H3 · the same entry in another collection · chain B against B, 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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