MolNFT v1 · #75045 · protein
Structure of greyhound hemoglobin: origin of high oxygen affinity
3PEL · Hemoglobin subunit alpha: “Structure of greyhound hemoglobin: origin of high oxygen affinity”. X-ray diffraction, 1 ligand (HEM), 4 pockets (best druggability 0.74). MolNFT v1 #75045 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3PEL
- Type
- protein
- Length
- 287 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemoglobin subunit alpha; Hemoglobin subunit beta
- UniProt
- P60529, P60524
- Ligands
- HEM
- Pockets
- 4 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemoglobin subunit alpha | protein | 141 | 76% helix, 0% strand | P60529 |
| B | Hemoglobin subunit beta | protein | 146 | 79% helix, 0% strand | P60524 |
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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 225 | 0.74 | 0.88 | 29 | HEM |
| 2 | 204 | 0.69 | 0.85 | 25 | HEM |
| 3 | 244 | 0.53 | 0.76 | 34 | empty |
| 4 | 64 | 0.28 | 0.73 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 922 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 3PEL · Structure of Greyhound Hemoglobin: Origin of High Oxygen Affinity · the same entry in another collection · chain A against A, TM-score 1.00
- P60524 · AlphaFold monomer V2.0 prediction for hemoglobin subunit beta (P60524) · a predicted model of the same protein · chain B against A, TM-score 0.98
- P60529 · AlphaFold monomer V2.0 prediction for hemoglobin subunit alpha (P60529) · a predicted model of the same protein · chain A against A, TM-score 0.97
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P60529
- Every structure of UniProt P60524
- Elsewhere: RCSB PDB 3PEL · PDBe 3PEL · UniProt P60529 · UniProt P60524
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