MolNFT v1 · #49380 · protein
Structure determination of haemoglobin from TURKEY(MELEAGRIS gallopavo) at 2.8 ångström resolution
2QMB · Hemoglobin subunit alpha-a: “Structure determination of haemoglobin from TURKEY(MELEAGRIS gallopavo) at 2.8 ångström resolution”. X-ray diffraction, 2 ligands (HEM, OXY), 5 pockets (best druggability 0.89). MolNFT v1 #49380 on…
- PDB
- 2QMB
- Type
- protein
- Length
- 574 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemoglobin subunit alpha-a; Hemoglobin beta chain
- UniProt
- P81023, P84479
- Ligands
- HEM, OXY
- Pockets
- 5 · best druggability 0.89
Structure
x-ray diffraction · 2 distinct chains · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Hemoglobin subunit alpha-a | protein | 141 | 80% helix, 0% strand | P81023 |
| B, D | Hemoglobin beta chain | protein | 146 | 79% helix, 0% strand | P84479 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D
- OXY · Oxygen molecule · ion · 4 copies · chains A, B, C, D
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 | 1073 | 0.89 | 0.90 | 130 | HEM, OXY |
| 2 | 250 | 0.75 | 0.88 | 31 | HEM, OXY |
| 3 | 229 | 0.72 | 0.87 | 26 | HEM, OXY |
| 4 | 226 | 0.70 | 0.85 | 25 | HEM, OXY |
| 5 | 130 | 0.41 | 0.76 | 27 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1019 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 960 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 461 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 450 Ų buried · 1 hydrogen bond · protein-protein
- B–D · 361 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2QMB · Structure determination of haemoglobin from Turkey(meleagris gallopavo) at 2.8 Angstrom… · the same entry in another collection · chain A against A, TM-score 1.00
- P81023 · AlphaFold monomer V2.0 prediction for hemoglobin subunit alpha-a (P81023) · a predicted model of the same protein · chain A 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 P81023
- Every structure of UniProt P84479
- Elsewhere: RCSB PDB 2QMB · PDBe 2QMB · UniProt P81023 · UniProt P84479
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