Research workbench
Human tetrameric hemoglobin: proximal nitrite ligand at beta
Analyse Human tetrameric hemoglobin: proximal nitrite ligand at beta in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ONZ
- Type
- protein
- Length
- 274 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemoglobin subunit alpha; Hemoglobin subunit beta
- UniProt
- P69905, P68871
- Ligands
- MBN, HEM, NO2
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 72% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemoglobin subunit alpha | protein | 140 | 76% helix, 0% strand | P69905 |
| B | Hemoglobin subunit beta | protein | 134 | 69% helix, 0% strand | P68871 |
Ligands and binding sites
- MBN · Toluene · ligand · 4 copies · chains A, B
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- NO2 · Nitrite ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 134 | 0.78 | 0.95 | 23 | MBN |
| 2 | 212 | 0.72 | 0.87 | 27 | HEM, NO2 |
| 3 | 212 | 0.68 | 0.84 | 26 | MBN |
| 4 | 201 | 0.54 | 0.78 | 35 | empty |
Interfaces
1 interface between chains.
- A–B · 884 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 3ONZ · Human tetrameric hemoglobin: proximal nitrite ligand at beta · 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 3ONZ · PDBe 3ONZ · UniProt P69905 · UniProt P68871
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