MolNFT v1 · #64054 · protein
Crystal structure determination of ostrich hemoglobin at 2.2 ångström resolution
3FS4 · Hemoglobin subunit alpha-a: “Crystal structure determination of ostrich hemoglobin at 2.2 ångström resolution”. X-ray diffraction, 2 ligands (HEM, OXY), 9 pockets (best druggability 0.85). MolNFT v1 #64054 on GenesisL1: 3D…
- PDB
- 3FS4
- 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 subunit beta
- UniProt
- P01981, P02123
- Ligands
- HEM, OXY
- Pockets
- 9 · best druggability 0.85
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 | 75% helix, 0% strand | P01981 |
| B, D | Hemoglobin subunit beta | protein | 146 | 83% helix, 0% strand | P02123 |
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
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 727 | 0.85 | 0.88 | 75 | HEM, OXY |
| 2 | 647 | 0.83 | 0.87 | 51 | empty |
| 3 | 233 | 0.71 | 0.86 | 29 | HEM, OXY |
| 4 | 185 | 0.70 | 0.87 | 24 | HEM, OXY |
| 5 | 192 | 0.69 | 0.86 | 24 | HEM, OXY |
Interfaces
6 interfaces between chains.
- A–B · 1024 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 1021 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 465 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 464 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 296 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 3FS4 · Crystal structure determination of Ostrich hemoglobin at 2.2 Angstrom resolution · the same entry in another collection · chain A against A, TM-score 1.00
- P01981 · AlphaFold monomer V2.0 prediction for hemoglobin subunit alpha-a (P01981) · a predicted model of the same protein · chain A against A, TM-score 0.98
- P02123 · AlphaFold monomer V2.0 prediction for hemoglobin subunit beta (P02123) · 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 P01981
- Every structure of UniProt P02123
- Elsewhere: RCSB PDB 3FS4 · PDBe 3FS4 · UniProt P01981 · UniProt P02123
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.