Research workbench
A double mutant of serratia marcescens hemophore receptor hasr in complex with its hemophore hasa and heme
Analyse A double mutant of serratia marcescens hemophore receptor hasr in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5C58
- Type
- protein
- Length
- 840 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hasr protein; Hemophore hasa
- UniProt
- Q79AD2, Q54450
- Ligands
- HEM
- Pockets
- 9 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 9% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hasr protein | protein | 667 | 5% helix, 56% strand | Q79AD2 |
| B | Hemophore hasa | protein | 173 | 26% helix, 31% strand | Q54450 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 109 | 0.78 | 0.98 | 32 | empty |
| 2 | 880 | 0.77 | 0.80 | 98 | HEM |
| 3 | 523 | 0.72 | 0.81 | 52 | empty |
| 4 | 697 | 0.71 | 0.79 | 87 | empty |
| 5 | 317 | 0.62 | 0.79 | 33 | empty |
Interfaces
1 interface between chains.
- A–B · 1099 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 5C58 · A double mutant of serratia marcescens hemophore receptor HasR in complex with its… · the same entry in another collection · chain B against B, TM-score 1.00
- Q54450 · AlphaFold monomer V2.0 prediction for hemophore hasa (Q54450) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 Q79AD2
- Every structure of UniProt Q54450
- Elsewhere: RCSB PDB 5C58 · PDBe 5C58 · UniProt Q79AD2 · UniProt Q54450
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