MolNFT v1 · #61229 · protein
The crystal structure of teicoplanin pseudoaglycone deacetylase ORF2
3DFF · Teicoplanin pseudoaglycone deacetylases ORF2: “The crystal structure of teicoplanin pseudoaglycone deacetylase ORF2”. X-ray diffraction, 1 ligand (ZN), 3 pockets (best druggability 0.69). MolNFT v1 #61229 on GenesisL1: 3D structure…
- PDB
- 3DFF
- Type
- protein
- Length
- 266 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Teicoplanin pseudoaglycone deacetylases ORF2
- UniProt
- Q6ZZJ1
- Ligands
- ZN
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Teicoplanin pseudoaglycone deacetylases ORF2 | protein | 266 | 43% helix, 17% strand | Q6ZZJ1 |
Ligands and binding sites
- ZN · Zinc ion · metal · chains A
- PG4 · Tetraethylene glycol · additive · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 390 | 0.69 | 0.81 | 34 | PG4 |
| 2 | 131 | 0.44 | 0.76 | 25 | empty |
| 3 | 78 | 0.33 | 0.75 | 17 | empty |
Modifications
Observed in the structure: 3 modified (engineered).
Compared structures
- 3DFF · The crystal structure of teicoplanin pseudoaglycone deacetylase Orf2 · 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 Q6ZZJ1
- Elsewhere: RCSB PDB 3DFF · PDBe 3DFF · UniProt Q6ZZJ1
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