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MolNFT v1 · #9105 · protein

Structural analysis of monomeric hemichrome and dimeric cyanomet hemoglobins from caudina arenicola

1HLB · Hemoglobin (deoxy): “Structural analysis of monomeric hemichrome and dimeric cyanomet hemoglobins from caudina arenicola”. X-ray diffraction, 2 ligands (ACE, HEM), 2 pockets (best druggability 0.76). MolNFT v1 #9105 on GenesisL1: 3D…

PDB
1HLB
Type
protein
Length
157 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hemoglobin (deoxy)
UniProt
P80018
Ligands
ACE, HEM
Pockets
2 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 67% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHemoglobin (deoxy)protein15767% helix, 0% strandP80018

Ligands and binding sites

  • ACE · Acetyl group · ligand · chains A
  • HEM · Protoporphyrin IX containing Fe · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14060.760.8543HEM
2540.300.7611empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 1HLB · Structural analysis of monomeric hemichrome and dimeric cyanomet hemoglobins from Caudina… · the same entry in another collection · chain A against A, TM-score 1.00
  • P80018 · AlphaFold monomer V2.0 prediction for globin C, coelomic (P80018) · a predicted model of the same protein · chain A against A, TM-score 0.90

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