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MolNFT v1 · #52373 · protein

Mutant ALA55TRP of cerebratuls lacteus mini-hemoglobin

2VYY · Neural hemoglobin: “Mutant ALA55TRP of cerebratuls lacteus mini-hemoglobin”. X-ray diffraction, 3 ligands (HEM, SO4, OXY), 1 pocket (best druggability 0.70). MolNFT v1 #52373 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
2VYY
Type
protein
Length
110 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Neural hemoglobin
UniProt
O76242
Ligands
HEM, SO4, OXY
Pockets
1 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANeural hemoglobinprotein11073% helix, 0% strandO76242

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • SO4 · Sulfate ion · ion · 2 copies · chains A
  • OXY · Oxygen molecule · ion · chains A
  • GOL · Glycerol · additive · 2 copies · chains A

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
12770.700.8429HEM, OXY

Compared structures

  • 2VYY · Mutant Ala55Trp of Cerebratuls lacteus mini-hemoglobin · the same entry in another collection · chain A against A, TM-score 1.00
  • O76242 · AlphaFold monomer V2.0 prediction for neural hemoglobin (O76242) · a predicted model of the same protein · chain A against A, TM-score 1.00

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