Research workbench
The high resolution crystal structure of deoxyhemoglobin S
Analyse The high resolution crystal structure of deoxyhemoglobin S in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2HBS
- Type
- protein
- Length
- 1,148 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemoglobin S (deoxy), alpha chain; Hemoglobin S (deoxy), beta chain
- UniProt
- P69905, P68871
- Ligands
- HEM
- Pockets
- 18 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G | Hemoglobin S (deoxy), alpha chain | protein | 141 | 79% helix, 0% strand | P69905 |
| B, D, F, H | Hemoglobin S (deoxy), beta chain | protein | 146 | 77% helix, 0% strand | P68871 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 8 copies · chains A, B, H, C, D, E, F, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 685 | 0.79 | 0.83 | 64 | empty |
| 2 | 1175 | 0.79 | 0.80 | 104 | empty |
| 3 | 210 | 0.73 | 0.88 | 26 | HEM |
| 4 | 319 | 0.73 | 0.85 | 36 | HEM |
| 5 | 268 | 0.73 | 0.86 | 30 | HEM |
Interfaces
12 interfaces between chains.
- G–H · 866 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 850 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 840 Ų buried · 8 hydrogen bonds · protein-protein
- E–F · 840 Ų buried · 10 hydrogen bonds · protein-protein
- F–G · 734 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 2HBS · The high resolution crystal structure of deoxyhemoglobin S · 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 2HBS · PDBe 2HBS · UniProt P69905 · UniProt P68871
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