MolNFT v1 · #57205 · protein
Crystal structure analysis of guinea pig oxyhemoglobin at 2.5 ångströms resolution
3A0G · Hemoglobin subunit alpha: “Crystal structure analysis of guinea pig oxyhemoglobin at 2.5 ångströms resolution”. X-ray diffraction, 2 ligands (HEM, OXY), 3 pockets (best druggability 0.72). MolNFT v1 #57205 on GenesisL1: 3D…
- PDB
- 3A0G
- Type
- protein
- Length
- 283 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemoglobin subunit alpha; Hemoglobin subunit beta
- UniProt
- P01947, P02095
- Ligands
- HEM, OXY
- Pockets
- 3 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemoglobin subunit alpha | protein | 139 | 79% helix, 0% strand | P01947 |
| B | Hemoglobin subunit beta | protein | 144 | 80% helix, 0% strand | P02095 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- OXY · Oxygen molecule · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 242 | 0.72 | 0.86 | 28 | HEM, OXY |
| 2 | 234 | 0.72 | 0.86 | 27 | HEM, OXY |
| 3 | 217 | 0.54 | 0.78 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 817 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 3A0G · Crystal structure analysis of guinea pig oxyhemoglobin at 2.5 angstroms resolution · the same entry in another collection · chain A against A, TM-score 1.00
- P01947 · AlphaFold monomer V2.0 prediction for hemoglobin subunit alpha (P01947) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P02095 · AlphaFold monomer V2.0 prediction for hemoglobin subunit beta (P02095) · 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 P01947
- Every structure of UniProt P02095
- Elsewhere: RCSB PDB 3A0G · PDBe 3A0G · UniProt P01947 · UniProt P02095
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