Research workbench
Structure of the serratia marcescens hemophore receptor hasr-ILE671GLY mutant in complex with its hemophore hasa and heme
Analyse Structure of the serratia marcescens hemophore receptor hasr-ILE671GLY mutant… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3DDR
- Type
- protein
- Length
- 1,830 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hasr protein; Hemophore hasa
- UniProt
- Q79AD2, Q54450
- Ligands
- HEM, NA
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 10% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hasr protein | protein | 753 | 5% helix, 53% strand | Q79AD2 |
| C, D | Hemophore hasa | protein | 162 | 29% helix, 31% strand | Q54450 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, C, B, D
- NA · Sodium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1067 | 0.83 | 0.84 | 89 | NA, HEM |
| 2 | 1074 | 0.82 | 0.83 | 94 | NA, HEM |
| 3 | 89 | 0.76 | 0.98 | 29 | empty |
| 4 | 98 | 0.76 | 0.97 | 30 | empty |
| 5 | 687 | 0.73 | 0.79 | 75 | empty |
Interfaces
2 interfaces between chains.
- B–D · 1795 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 1793 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3DDR · Structure of the Serratia marcescens hemophore receptor HasR-Ile671Gly mutant in complex… · 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 C 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 3DDR · PDBe 3DDR · UniProt Q79AD2 · UniProt Q54450
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