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Carbonmonoxy liganded bovine hemoglobin pH 7.2

Analyse Carbonmonoxy liganded bovine hemoglobin pH 7.2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1G09
Type
protein
Length
572 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hemoglobin alpha chain; Hemoglobin beta chain
UniProt
P01966, P02070
Ligands
HEM, CMO
Pockets
6 · best druggability 0.85

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CHemoglobin alpha chainprotein14174% helix, 0% strandP01966
B, DHemoglobin beta chainprotein14579% helix, 0% strandP02070

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D
  • CMO · Carbon monoxide · ion · 4 copies · chains A, B, C, D

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

Pockets

6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17270.850.8991empty
22470.740.8726HEM, CMO
32740.720.8529HEM, CMO
41870.690.8624HEM, CMO
51860.680.8626HEM, CMO

Interfaces

6 interfaces between chains.

  • C–D · 855 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 844 Ų buried · 10 hydrogen bonds · protein-protein
  • B–C · 530 Ų buried · 5 hydrogen bonds · protein-protein
  • A–D · 487 Ų buried · 3 hydrogen bonds · protein-protein
  • A–C · 351 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 1G09 · Carbonmonoxy liganded bovine hemoglobin pH 7.2 · the same entry in another collection · chain A against A, TM-score 1.00
  • P01966 · AlphaFold monomer V2.0 prediction for hemoglobin subunit alpha (P01966) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • P02070 · AlphaFold monomer V2.0 prediction for hemoglobin subunit beta (P02070) · a predicted model of the same protein · chain B against A, TM-score 0.98

Analyse

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