MolNFT v1 · #38594 · protein
Solution structure of human normal adult hemoglobin
2H35 · Hemoglobin alpha subunit: “Solution structure of human normal adult hemoglobin”. Solution nmr, 1 ligand (HEC), 7 pockets (best druggability 0.86). MolNFT v1 #38594 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2H35
- Type
- protein
- Length
- 574 residues
- Chains
- 4
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemoglobin alpha subunit; Hemoglobin beta subunit
- UniProt
- P69905, P68871
- Ligands
- HEC
- Pockets
- 7 · best druggability 0.86
Structure
solution nmr · 2 distinct chains · 67% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Hemoglobin alpha subunit | protein | 141 | 63% helix, 0% strand | P69905 |
| B, D | Hemoglobin beta subunit | protein | 146 | 70% helix, 0% strand | P68871 |
Ligands and binding sites
- HEC · Heme C · 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, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1193 | 0.86 | 0.87 | 115 | HEC |
| 2 | 425 | 0.75 | 0.84 | 35 | HEC |
| 3 | 410 | 0.74 | 0.84 | 48 | HEC |
| 4 | 422 | 0.73 | 0.83 | 36 | HEC |
| 5 | 74 | 0.62 | 0.90 | 18 | empty |
Interfaces
5 interfaces between chains.
- A–B · 888 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 884 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 400 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 392 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 293 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2H35 · Solution structure of Human normal adult 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 2H35 · PDBe 2H35 · UniProt P69905 · UniProt P68871
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.