MolNFT v1 · #4092 · protein

Deacetoxycephalosporin C synthase from S. clavuligerus

1DCS: “Deacetoxycephalosporin C synthase from S. clavuligerus”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.61). MolNFT v1 #4092 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1DCS
Type: protein
Length: 279 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Deacetoxycephalosporin C synthase
UniProt: P18548
Ligands: SO4
Pockets: 2 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Deacetoxycephalosporin C synthase	protein	279	32% helix, 25% strand	P18548

Ligands and binding sites

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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	228	0.61	0.81	31	empty
2	61	0.29	0.74	18	empty

Compared structures

1DCS · Deacetoxycephalosporin C synthase from S. clavuligerus · the same entry in another collection · chain A against A, TM-score 1.00
P18548 · AlphaFold monomer V2.0 prediction for deacetoxycephalosporin C synthase (P18548) · a predicted model of the same protein · chain A against A, TM-score 0.89

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 P18548
Elsewhere: RCSB PDB 1DCS · PDBe 1DCS · UniProt P18548

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