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MolNFT v1 · #138608 · protein

Human hemoglobin immersed in liquid oxygen for 20 seconds

5WOH · Hemoglobin subunit alpha: “Human hemoglobin immersed in liquid oxygen for 20 seconds”. X-ray diffraction, 1 ligand (HEM), 8 pockets (best druggability 0.86). MolNFT v1 #138608 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
5WOH
Type
protein
Length
566 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hemoglobin subunit alpha; Hemoglobin subunit beta
UniProt
P69905, P68871
Ligands
HEM
Pockets
8 · best druggability 0.86

Structure

x-ray diffraction · 2 distinct chains · 79% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CHemoglobin subunit alphaprotein13780% helix, 0% strandP69905
B, DHemoglobin subunit betaprotein14679% helix, 0% strandP68871

Ligands and binding sites

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

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110800.860.8790empty
22230.740.8829HEM
32300.720.8726HEM
41910.690.8624HEM
51760.690.8724HEM

Interfaces

6 interfaces between chains.

  • A–B · 918 Ų buried · 8 hydrogen bonds · protein-protein
  • C–D · 905 Ų buried · 8 hydrogen bonds · protein-protein
  • A–D · 507 Ų buried · 5 hydrogen bonds · protein-protein
  • B–C · 457 Ų buried · 3 hydrogen bonds · protein-protein
  • B–D · 183 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 5WOH · Human Hemoglobin Immersed in Liquid Oxygen for 20 seconds · the same entry in another collection · chain A against A, TM-score 1.00

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