MolNFT v1 · #119791 · protein
Crystal structure of zn-containing nagz H174A mutant from pseudomonas aeruginosa
5G6T · Beta-hexosaminidase: “Crystal structure of zn-containing nagz H174A mutant from pseudomonas aeruginosa”. X-ray diffraction, 1 ligand (ZN), 8 pockets (best druggability 0.78). MolNFT v1 #119791 on GenesisL1: 3D structure, binding…
- PDB
- 5G6T
- Type
- protein
- Length
- 631 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-hexosaminidase
- EC
- 3.2.1.52
- UniProt
- Q9HZK0
- Ligands
- ZN
- Pockets
- 8 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-hexosaminidase (EC 3.2.1.52) | protein | 317 | 43% helix, 15% strand | Q9HZK0 |
| B | Beta-hexosaminidase (EC 3.2.1.52) | protein | 314 | 43% helix, 15% strand | Q9HZK0 |
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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 981 | 0.78 | 0.80 | 91 | empty |
| 2 | 307 | 0.54 | 0.75 | 29 | empty |
| 3 | 213 | 0.49 | 0.75 | 33 | empty |
| 4 | 151 | 0.48 | 0.77 | 24 | empty |
| 5 | 68 | 0.40 | 0.80 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 612 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 5G6T · Crystal structure of Zn-containing NagZ H174A mutant from Pseudomonas aeruginosa · the same entry in another collection · chain A against A, TM-score 1.00
- Q9HZK0 · AlphaFold monomer V2.0 prediction for beta-hexosaminidase (Q9HZK0) · a predicted model of the same protein · chain B against A, TM-score 0.94
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 Q9HZK0
- Elsewhere: RCSB PDB 5G6T · PDBe 5G6T · UniProt Q9HZK0
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