Research workbench
Crystal structure of oxy-human hemoglobin Bassett at 2.15 angstrom
Analyse Crystal structure of oxy-human hemoglobin Bassett at 2.15 angstrom in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1R1X
- Type
- protein
- Length
- 287 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.15
- Source
- Homo sapiens
- Molecule
- Hemoglobin alpha chain; Hemoglobin beta chain
- UniProt
- P69905, P68871
- Ligands
- HEM, MBN, CMO
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · resolution 2.15 · 2 distinct chains · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemoglobin alpha chain | protein | 141 | 76% helix, 0% strand | P69905 |
| B | Hemoglobin beta chain | protein | 146 | 79% helix, 0% strand | P68871 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- MBN · Toluene · ligand · 2 copies · 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
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 | 158 | 0.78 | 0.94 | 21 | MBN |
| 2 | 215 | 0.74 | 0.88 | 27 | CMO, HEM |
| 3 | 200 | 0.68 | 0.85 | 24 | CMO, HEM |
| 4 | 243 | 0.53 | 0.76 | 29 | empty |
| 5 | 54 | 0.34 | 0.78 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 888 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 1R1X · Crystal structure of oxy-human hemoglobin bassett at 2.15 ångström · the same entry in another collection · chain A against A, TM-score 1.00
- P69905 · AlphaFold monomer V2.0 prediction for hemoglobin subunit alpha (P69905) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P68871 · AlphaFold monomer V2.0 prediction for hemoglobin subunit beta (P68871) · 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 P69905
- Every structure of UniProt P68871
- Elsewhere: RCSB PDB 1R1X · PDBe 1R1X · UniProt P69905 · UniProt P68871
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