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MolNFT v1 · #61236 · protein

The crystal structure of the zinc inhibited form of teicoplanin deacetylase ORF2

3DFM · Teicoplanin pseudoaglycone deacetylase ORF2: “The crystal structure of the zinc inhibited form of teicoplanin deacetylase ORF2”. X-ray diffraction, 2 ligands (ZN, SO4), 2 pockets (best druggability 0.69). MolNFT v1 #61236 on…

PDB
3DFM
Type
protein
Length
266 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Teicoplanin pseudoaglycone deacetylase ORF2
UniProt
Q6ZZJ1
Ligands
ZN, SO4
Pockets
2 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATeicoplanin pseudoaglycone deacetylase ORF2protein26644% helix, 16% strandQ6ZZJ1

Ligands and binding sites

  • ZN · Zinc ion · metal · 5 copies · chains A
  • SO4 · Sulfate ion · ion · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15210.690.7959SO4
2780.320.7419empty

Modifications

Observed in the structure: 3 modified (engineered).

Compared structures

  • 3DFM · The crystal structure of the zinc inhibited form of teicoplanin deacetylase Orf2 · the same entry in another collection · chain A against A, TM-score 1.00

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