Research workbench
Crystal structure of a putative fumarylacetoacetate hydrolase family protein from yersinia pestis CO92
Analyse Crystal structure of a putative fumarylacetoacetate hydrolase family protein… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3S52
- Type
- protein
- Length
- 854 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative fumarylacetoacetate hydrolase family protein
- UniProt
- Q8D0F9
- Ligands
- SO4, CL
- Pockets
- 8 · best druggability 0.68
Structure
x-ray diffraction · 4 distinct chains · 22% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative fumarylacetoacetate hydrolase family protein | protein | 218 | 23% helix, 37% strand | Q8D0F9 |
| B | Putative fumarylacetoacetate hydrolase family protein | protein | 211 | 20% helix, 38% strand | Q8D0F9 |
| C | Putative fumarylacetoacetate hydrolase family protein | protein | 217 | 24% helix, 37% strand | Q8D0F9 |
| D | Putative fumarylacetoacetate hydrolase family protein | protein | 208 | 22% helix, 39% strand | Q8D0F9 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 537 | 0.68 | 0.78 | 64 | empty |
| 2 | 131 | 0.57 | 0.83 | 38 | SO4 |
| 3 | 67 | 0.54 | 0.87 | 24 | SO4 |
| 4 | 160 | 0.50 | 0.78 | 35 | empty |
| 5 | 107 | 0.45 | 0.79 | 27 | SO4 |
Interfaces
4 interfaces between chains.
- A–D · 1547 Ų buried · 28 hydrogen bonds · protein-protein
- B–C · 1493 Ų buried · 27 hydrogen bonds · protein-protein
- A–C · 439 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 310 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 25 modified (engineered).
Compared structures
- 3S52 · Crystal structure of a putative fumarylacetoacetate hydrolase family protein from… · 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 Q8D0F9
- Elsewhere: RCSB PDB 3S52 · PDBe 3S52 · UniProt Q8D0F9
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