MolNFT v1 · #16525 · protein
Deoxy hemoglobin (a-glyglygly-C:V1M,L29W; B,D:V1M)
1O1N · Hemoglobin alpha chain: “Deoxy hemoglobin (a-glyglygly-C:V1M,L29W; B,D:V1M)”. X-ray diffraction, 1 ligand (HEM), 8 pockets (best druggability 0.79). MolNFT v1 #16525 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1O1N
- Type
- protein
- Length
- 574 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemoglobin alpha chain; Hemoglobin beta chain
- UniProt
- P69905, P68871
- Ligands
- HEM
- Pockets
- 8 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemoglobin alpha chain | protein | 282 | 77% helix, 0% strand | P69905 |
| B, D | Hemoglobin beta chain | protein | 146 | 81% helix, 0% strand | P68871 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1170 | 0.79 | 0.81 | 92 | empty |
| 2 | 249 | 0.73 | 0.87 | 30 | HEM |
| 3 | 218 | 0.73 | 0.88 | 29 | HEM |
| 4 | 240 | 0.72 | 0.86 | 28 | HEM |
| 5 | 219 | 0.67 | 0.84 | 29 | HEM |
Interfaces
2 interfaces between chains.
- A–D · 1537 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 1526 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 1O1N · Deoxy hemoglobin (A-GLYGLYGLY-C:V1M,L29W; B,D:V1M) · 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 1O1N · PDBe 1O1N · UniProt P69905 · UniProt P68871
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.