MolNFT v1 · #180460 · protein
Crystal structure of hydroxyacyl glutathione hydrolase (glob) from staphylococcus aureus, apoenzyme
7L0B · Hydroxyacylglutathione hydrolase: “Crystal structure of hydroxyacyl glutathione hydrolase (glob) from staphylococcus aureus, apoenzyme”. X-ray diffraction, 2 ligands (ZN, SO4), 7 pockets (best druggability 0.56). MolNFT v1 #180460…
- PDB
- 7L0B
- Type
- protein
- Length
- 795 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydroxyacylglutathione hydrolase
- EC
- 3.1.2.6, 3.-.-.-
- UniProt
- W8UAH2
- Ligands
- ZN, SO4
- Pockets
- 7 · best druggability 0.56
Structure
x-ray diffraction · 4 distinct chains · 25% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydroxyacylglutathione hydrolase (EC 3.1.2.6, 3.-.-.-) | protein | 202 | 24% helix, 28% strand | W8UAH2 |
| B | Hydroxyacylglutathione hydrolase (EC 3.1.2.6, 3.-.-.-) | protein | 197 | 25% helix, 28% strand | W8UAH2 |
| C | Hydroxyacylglutathione hydrolase (EC 3.1.2.6, 3.-.-.-) | protein | 200 | 26% helix, 28% strand | W8UAH2 |
| D | Hydroxyacylglutathione hydrolase (EC 3.1.2.6, 3.-.-.-) | protein | 196 | 24% helix, 29% strand | W8UAH2 |
Ligands and binding sites
- ZN · Zinc ion · metal · 8 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 344 | 0.56 | 0.75 | 28 | empty |
| 2 | 327 | 0.56 | 0.75 | 32 | empty |
| 3 | 136 | 0.37 | 0.72 | 23 | empty |
| 4 | 87 | 0.33 | 0.74 | 20 | SO4 |
| 5 | 69 | 0.33 | 0.75 | 17 | SO4 |
Interfaces
3 interfaces between chains.
- A–D · 267 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 263 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 24 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 7L0B · Crystal structure of hydroxyacyl glutathione hydrolase (GloB) from Staphylococcus aureus… · 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 W8UAH2
- Elsewhere: RCSB PDB 7L0B · PDBe 7L0B · UniProt W8UAH2
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