MolNFT v1 · #66491 · protein
Crystal structure of hemoglobin from mouse (mus MUSCULUS)AT 2.8
3HRW · Hemoglobin subunit alpha: “Crystal structure of hemoglobin from mouse (mus MUSCULUS)AT 2.8”. X-ray diffraction, 1 ligand (HEM), 7 pockets (best druggability 0.85). MolNFT v1 #66491 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3HRW
- Type
- protein
- Length
- 574 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemoglobin subunit alpha; Hemoglobin subunit beta-1
- UniProt
- P01942, P02088
- Ligands
- HEM
- Pockets
- 7 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 69% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Hemoglobin subunit alpha | protein | 141 | 70% helix, 0% strand | P01942 |
| B, D | Hemoglobin subunit beta-1 | protein | 146 | 68% helix, 0% strand | P02088 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1072 | 0.85 | 0.86 | 99 | empty |
| 2 | 232 | 0.76 | 0.89 | 28 | HEM |
| 3 | 222 | 0.73 | 0.87 | 27 | HEM |
| 4 | 217 | 0.72 | 0.87 | 26 | HEM |
| 5 | 191 | 0.70 | 0.87 | 27 | HEM |
Interfaces
6 interfaces between chains.
- A–B · 864 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 848 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 604 Ų buried · 7 hydrogen bonds · protein-protein
- A–D · 543 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 334 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3HRW · Crystal structure of hemoglobin from mouse (Mus musculus)at 2.8 · the same entry in another collection · chain A against A, TM-score 1.00
- P01942 · AlphaFold monomer V2.0 prediction for hemoglobin subunit alpha (P01942) · a predicted model of the same protein · chain A against A, TM-score 0.98
- P02088 · AlphaFold monomer V2.0 prediction for hemoglobin subunit beta-1 (P02088) · a predicted model of the same protein · chain B 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 P01942
- Every structure of UniProt P02088
- Elsewhere: RCSB PDB 3HRW · PDBe 3HRW · UniProt P01942 · UniProt P02088
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.