MolNFT v1 · #22316 · protein
Crystal structure of carbonmonoxy hemoglobin
1T1N · Protein (hemoglobin): “Crystal structure of carbonmonoxy hemoglobin”. X-ray diffraction, 3 ligands (HEM, ACE, CMO), 4 pockets (best druggability 0.74). MolNFT v1 #22316 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1T1N
- Type
- protein
- Length
- 288 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (hemoglobin)
- UniProt
- P45718, P45720
- Ligands
- HEM, ACE, CMO
- Pockets
- 4 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 76% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (hemoglobin) | protein | 142 | 75% helix, 0% strand | P45718 |
| B | Protein (hemoglobin) | protein | 146 | 77% helix, 0% strand | P45720 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- ACE · Acetyl group · ligand · chains A
- 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
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 228 | 0.74 | 0.88 | 26 | HEM, CMO |
| 2 | 239 | 0.72 | 0.86 | 27 | HEM, CMO |
| 3 | 154 | 0.47 | 0.77 | 18 | empty |
| 4 | 66 | 0.36 | 0.78 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 864 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 1T1N · Crystal structure of carbonmonoxy hemoglobin · the same entry in another collection · chain A against A, TM-score 1.00
- P45718 · AlphaFold monomer V2.0 prediction for hemoglobin subunit alpha-1 (P45718) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P45720 · AlphaFold monomer V2.0 prediction for hemoglobin subunit beta-1/2 (P45720) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 P45718
- Every structure of UniProt P45720
- Elsewhere: RCSB PDB 1T1N · PDBe 1T1N · UniProt P45718 · UniProt P45720
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.