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CO Form Hemoglobin from Dasyatis Akajei

Analyse CO Form Hemoglobin from Dasyatis Akajei in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1CG8
Type
protein
Length
282 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.9
Source
Dasyatis akajei
Molecule
Protein (hemoglobin)
UniProt
P56691, P56692
Ligands
HEM, CMO
Pockets
3 · best druggability 0.75

Structure

x-ray diffraction · resolution 1.9 · 2 distinct chains · 77% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein (hemoglobin)protein14177% helix, 0% strandP56691
BProtein (hemoglobin)protein14177% helix, 0% strandP56692

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
  • CMO · Carbon monoxide · ion · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13280.750.8638HEM, CMO
23040.730.8529HEM, CMO
31880.530.7830empty

Interfaces

1 interface between chains.

  • A–B · 959 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 1CG8 · Co form hemoglobin from dasyatis akajei · the same entry in another collection · chain A against A, TM-score 1.00
  • P56692 · AlphaFold monomer V2.0 prediction for hemoglobin subunit beta (P56692) · a predicted model of the same protein · chain B against A, TM-score 0.99
  • P56691 · AlphaFold monomer V2.0 prediction for hemoglobin subunit alpha (P56691) · a predicted model of the same protein · chain A against A, TM-score 0.98

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