MolNFT v1 · #75162 · protein
Crystallographic structure of hbii-oxy from lucina pectinata at pH 5.0
3PI3 · Hemoglobin II: “Crystallographic structure of hbii-oxy from lucina pectinata at pH 5.0”. X-ray diffraction, 3 ligands (ACE, HEM, OXY), 2 pockets (best druggability 0.84). MolNFT v1 #75162 on GenesisL1: 3D structure, binding sites…
- PDB
- 3PI3
- Type
- protein
- Length
- 302 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemoglobin II
- UniProt
- Q86G74
- Ligands
- ACE, HEM, OXY
- Pockets
- 2 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hemoglobin II | protein | 151 | 79% helix, 0% strand | Q86G74 |
Ligands and binding sites
- ACE · Acetyl group · ligand · 2 copies · chains A, B
- 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
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1144 | 0.84 | 0.85 | 78 | HEM, OXY |
| 2 | 50 | 0.23 | 0.72 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 896 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 3PI3 · Crystallographic Structure of HbII-oxy from Lucina pectinata at pH 5.0 · 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 Q86G74
- Elsewhere: RCSB PDB 3PI3 · PDBe 3PI3 · UniProt Q86G74
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