MolNFT v1 · #34999 · protein
Neutron structure analysis of deoxy human hemoglobin
2DXM · Hemoglobin subunit alpha: “Neutron structure analysis of deoxy human hemoglobin”. Neutron diffraction, 1 ligand (HEM), 9 pockets (best druggability 0.78). MolNFT v1 #34999 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2DXM
- Type
- protein
- Length
- 574 residues
- Chains
- 4
- Method
- neutron diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemoglobin subunit alpha; Hemoglobin subunit beta
- UniProt
- P69905, P68871
- Ligands
- HEM
- Pockets
- 9 · best druggability 0.78
Structure
neutron diffraction · 2 distinct chains · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Hemoglobin subunit alpha | protein | 141 | 78% helix, 0% strand | P69905 |
| B, D | Hemoglobin subunit beta | protein | 146 | 79% helix, 0% strand | P68871 |
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
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 633 | 0.78 | 0.83 | 61 | empty |
| 2 | 273 | 0.75 | 0.87 | 29 | HEM |
| 3 | 239 | 0.74 | 0.87 | 30 | HEM |
| 4 | 236 | 0.73 | 0.87 | 28 | HEM |
| 5 | 282 | 0.72 | 0.85 | 30 | HEM |
Interfaces
5 interfaces between chains.
- A–B · 856 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 838 Ų buried · 10 hydrogen bonds · protein-protein
- A–D · 712 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 697 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 323 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 2DXM · Neutron Structure Analysis of Deoxy Human Hemoglobin · the same entry in another collection · chain A against A, TM-score 1.00
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 P69905
- Every structure of UniProt P68871
- Elsewhere: RCSB PDB 2DXM · PDBe 2DXM · UniProt P69905 · UniProt P68871
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.