MolNFT v1 · #40110 · protein
Crystal structure of group III truncated hemoglobin from campylobacter jejuni
2IG3 · Group III truncated haemoglobin: “Crystal structure of group III truncated hemoglobin from campylobacter jejuni”. X-ray diffraction, 3 ligands (HEM, SO4, CYN), 3 pockets (best druggability 0.78). MolNFT v1 #40110 on GenesisL1: 3D…
- PDB
- 2IG3
- Type
- protein
- Length
- 251 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Group III truncated haemoglobin
- UniProt
- Q0PB48
- Ligands
- HEM, SO4, CYN
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 72% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Group III truncated haemoglobin | protein | 127 | 70% helix, 2% strand | Q0PB48 |
| B | Group III truncated haemoglobin | protein | 124 | 73% helix, 2% strand | Q0PB48 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- CYN · Cyanide ion · ion · 2 copies · chains A, B
- ACT · Acetate ion · additive · 3 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 312 | 0.78 | 0.88 | 28 | CYN, HEM |
| 2 | 292 | 0.74 | 0.86 | 30 | CYN, HEM |
| 3 | 74 | 0.32 | 0.74 | 16 | SO4 |
Interfaces
1 interface between chains.
- A–B · 861 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 2IG3 · Crystal structure of group III truncated hemoglobin from Campylobacter jejuni · the same entry in another collection · chain A against A, TM-score 1.00
- Q0PB48 · AlphaFold monomer V2.0 prediction for group 3 truncated hemoglobin ctb (Q0PB48) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q0PB48
- Elsewhere: RCSB PDB 2IG3 · PDBe 2IG3 · UniProt Q0PB48
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