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MolNFT v1 · #56645 · protein

Horse methemoglobin high salt, pH 7.0 (79% relative humidity)

2ZLV · Hemoglobin subunit alpha: “Horse methemoglobin high salt, pH 7.0 (79% relative humidity)”. X-ray diffraction, 1 ligand (HEM), 4 pockets (best druggability 0.74). MolNFT v1 #56645 on GenesisL1: 3D structure, binding sites and pockets…

PDB
2ZLV
Type
protein
Length
273 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hemoglobin subunit alpha; Hemoglobin subunit beta
UniProt
P01958, P02062
Ligands
HEM
Pockets
4 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 78% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHemoglobin subunit alphaprotein14177% helix, 0% strandP01958
BHemoglobin subunit betaprotein13280% helix, 0% strandP02062

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12900.740.8629HEM
22060.670.8525HEM
31830.560.8029empty
4940.410.7823empty

Interfaces

1 interface between chains.

  • A–B · 900 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 2ZLV · Horse methemoglobin high salt, pH 7.0 (79% relative humidity) · the same entry in another collection · chain A against A, TM-score 1.00
  • P02062 · AlphaFold monomer V2.0 prediction for hemoglobin subunit beta (P02062) · a predicted model of the same protein · chain B against A, TM-score 0.98
  • P01958 · AlphaFold monomer V2.0 prediction for hemoglobin subunit alpha (P01958) · a predicted model of the same protein · chain A against A, TM-score 0.97

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