Research workbench
Structure of the serratia marcescens hemophore receptor hasr in complex with its hemophore hasa and heme
Analyse Structure of the 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
- 3CSL
- Type
- protein
- Length
- 1,832 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
- Pockets
- 17 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 10% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hasr protein | protein | 753 | 6% helix, 50% strand | Q79AD2 |
| C, D | Hemophore hasa | protein | 163 | 29% helix, 36% strand | Q54450 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, C, B, D
- GOL · Glycerol · additive · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 995 | 0.83 | 0.84 | 87 | HEM |
| 2 | 1036 | 0.82 | 0.83 | 91 | HEM |
| 3 | 100 | 0.77 | 0.98 | 29 | empty |
| 4 | 91 | 0.74 | 0.97 | 30 | empty |
| 5 | 512 | 0.74 | 0.83 | 77 | empty |
Interfaces
2 interfaces between chains.
- B–D · 1887 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 1885 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 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 3CSL · PDBe 3CSL · UniProt Q79AD2 · UniProt Q54450
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