Research workbench
The crystal structure of the secreted dimeric form of the hemophore hasa reveals a domain swapping with an exchanged heme ligand
Analyse The crystal structure of the secreted dimeric form of the hemophore hasa… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2CN4
- Type
- protein
- Length
- 346 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemophore hasa
- UniProt
- Q54450
- Ligands
- HEM, PO4
- Pockets
- 1 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hemophore hasa | protein | 173 | 30% helix, 33% strand | Q54450 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 751 | 0.72 | 0.78 | 72 | HEM |
Interfaces
1 interface between chains.
- A–B · 4293 Ų buried · 52 hydrogen bonds · protein-protein
Compared structures
- 2CN4 · The crystal structure of the secreted dimeric form of the hemophore HasA reveals a domain… · the same entry in another collection · chain A against A, TM-score 1.00
- Q54450 · AlphaFold monomer V2.0 prediction for hemophore hasa (Q54450) · a predicted model of the same protein · chain A against A, TM-score 0.72
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 Q54450
- Elsewhere: RCSB PDB 2CN4 · PDBe 2CN4 · UniProt Q54450
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