MolNFT v1 · #84402 · protein
M.ACETIVORANS protoglobin in complex with azide
3ZJO: “M.ACETIVORANS protoglobin in complex with azide”. X-ray diffraction, 2 ligands (HEM, AZI), 2 pockets (best druggability 0.87). MolNFT v1 #84402 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3ZJO
- Type
- protein
- Length
- 380 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protoglobin
- UniProt
- Q8TLY9
- Ligands
- HEM, AZI
- Pockets
- 2 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 66% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Protoglobin | protein | 190 | 66% helix, 2% strand | Q8TLY9 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- AZI · Azide ion · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 332 | 0.87 | 0.96 | 37 | HEM, AZI |
| 2 | 317 | 0.86 | 0.96 | 39 | HEM, AZI |
Interfaces
1 interface between chains.
- A–B · 1952 Ų buried · 32 hydrogen bonds · protein-protein
Compared structures
- 3ZJO · M.acetivorans protoglobin in complex with azide · 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 Q8TLY9
- Elsewhere: RCSB PDB 3ZJO · PDBe 3ZJO · UniProt Q8TLY9
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