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MolNFT v1 · #75163 · protein

Crystallographic structure of hbii-oxy from lucina pectinata at pH 4.0

3PI4 · Hemoglobin II: “Crystallographic structure of hbii-oxy from lucina pectinata at pH 4.0”. X-ray diffraction, 2 ligands (ACE, HEM), 1 pocket (best druggability 0.85). MolNFT v1 #75163 on GenesisL1: 3D structure, binding sites and…

PDB
3PI4
Type
protein
Length
302 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hemoglobin II
UniProt
Q86G74
Ligands
ACE, HEM
Pockets
1 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 79% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BHemoglobin IIprotein15179% helix, 0% strandQ86G74

Ligands and binding sites

  • ACE · Acetyl group · ligand · 2 copies · chains A, B
  • 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19580.850.8671HEM

Interfaces

1 interface between chains.

  • A–B · 866 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

  • 3PI4 · Crystallographic Structure of HbII-oxy from Lucina pectinata at pH 4.0 · the same entry in another collection · chain A against A, TM-score 1.00

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