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MolNFT v1 · #81148 · protein

Hbi (R104K) deoxy

3UHY · Globin-1: “Hbi (R104K) deoxy”. X-ray diffraction, 1 ligand (HEM), 1 pocket (best druggability 0.87). MolNFT v1 #81148 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3UHY
Type
protein
Length
291 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Globin-1
UniProt
P02213
Ligands
HEM
Pockets
1 · best druggability 0.87

Structure

x-ray diffraction · 2 distinct chains · 82% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlobin-1protein14682% helix, 0% strandP02213
BGlobin-1protein14583% helix, 0% strandP02213

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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19510.870.8868HEM

Interfaces

1 interface between chains.

  • A–B · 1012 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 3UHY · HBI (R104K) deoxy · the same entry in another collection · chain A against A, TM-score 1.00
  • P02213 · AlphaFold monomer V2.0 prediction for globin-1 (P02213) · a predicted model of the same protein · chain A against A, TM-score 0.99

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