MolNFT v1 · #29146 · protein
A novel quaternary structure of human carbonmonoxy hemoglobin
1YZI · Hemoglobin alpha chain: “A novel quaternary structure of human carbonmonoxy hemoglobin”. X-ray diffraction, 3 ligands (MBN, HEM, CMO), 5 pockets (best druggability 0.79). MolNFT v1 #29146 on GenesisL1: 3D structure, binding sites…
- PDB
- 1YZI
- Type
- protein
- Length
- 287 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemoglobin alpha chain; Hemoglobin beta chain
- UniProt
- P69905, P68871
- Ligands
- MBN, HEM, CMO
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemoglobin alpha chain | protein | 141 | 77% helix, 0% strand | P69905 |
| B | Hemoglobin beta chain | protein | 146 | 77% helix, 0% strand | P68871 |
Ligands and binding sites
- MBN · Toluene · ligand · 3 copies · chains A
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- CMO · Carbon monoxide · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 144 | 0.79 | 0.95 | 19 | MBN |
| 2 | 185 | 0.72 | 0.88 | 27 | CMO, HEM |
| 3 | 190 | 0.67 | 0.85 | 24 | CMO, HEM |
| 4 | 149 | 0.54 | 0.81 | 27 | empty |
| 5 | 69 | 0.33 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 950 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 1YZI · A novel quaternary structure of human carbonmonoxy 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 1YZI · PDBe 1YZI · UniProt P69905 · UniProt P68871
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