MolNFT v1 · #71627 · protein
Crystal structure determination of pigeon (columba livia) haemoglobin at 3.5 ångström resolution
3MJU · Hemoglobin subunit alpha-a: “Crystal structure determination of pigeon (columba livia) haemoglobin at 3.5 ångström resolution”. X-ray diffraction, 1 ligand (HEM), 3 pockets (best druggability 0.75). MolNFT v1 #71627 on GenesisL1: 3D…
- PDB
- 3MJU
- Type
- protein
- Length
- 287 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemoglobin subunit alpha-a; Hemoglobin subunit beta
- UniProt
- P21871, P11342
- Ligands
- HEM
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 69% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemoglobin subunit alpha-a | protein | 141 | 67% helix, 0% strand | P21871 |
| B | Hemoglobin subunit beta | protein | 146 | 71% helix, 0% strand | P11342 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 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 | 288 | 0.75 | 0.87 | 30 | HEM |
| 2 | 208 | 0.71 | 0.87 | 25 | HEM |
| 3 | 167 | 0.57 | 0.81 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 975 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 3MJU · Crystal structure determination of pigeon (columba livia) haemoglobin at 3.5 angstrom… · the same entry in another collection · chain A against A, TM-score 1.00
- P11342 · AlphaFold monomer V2.0 prediction for hemoglobin subunit beta (P11342) · a predicted model of the same protein · chain B against A, TM-score 0.97
- P21871 · AlphaFold monomer V2.0 prediction for hemoglobin subunit alpha-a (P21871) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P21871
- Every structure of UniProt P11342
- Elsewhere: RCSB PDB 3MJU · PDBe 3MJU · UniProt P21871 · UniProt P11342
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