MolNFT v1 · #61234 · protein

The crystal structure of teicoplanin pseudoaglycone deacetylase ORF2* bound to one of its products decanoic acid

3DFK: “The crystal structure of teicoplanin pseudoaglycone deacetylase ORF2* bound to one of its products decanoic…”. X-ray diffraction, 2 ligands (DKA, ZN), 4 pockets (best druggability 0.68). MolNFT v1 #61234 on GenesisL1: 3D structure…

PDB: 3DFK
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: DKA, ZN
Pockets: 4 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Teicoplanin pseudoaglycone deacetylase ORF2	protein	266	45% helix, 17% strand	Q6ZZJ1

Ligands and binding sites

DKA · Decanoic acid · ligand · chains A
ZN · Zinc ion · metal · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	330	0.68	0.82	31	DKA
2	88	0.34	0.74	20	empty
3	60	0.32	0.76	14	empty
4	67	0.31	0.74	13	empty

Modifications

Observed in the structure: 3 modified (engineered).

Compared structures

3DFK · The crystal structure of teicoplanin pseudoaglycone deacetylase Orf2* bound to one of its… · 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 3DFK · PDBe 3DFK · UniProt Q6ZZJ1

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