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Conformational flexibility of the C-terminus with implications for substrate binding and catalysis in a new crystal form of deacetoxycephalosporin C synthase

Analyse Conformational flexibility of the C-terminus with implications for substrate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1W28
Type: protein
Length: 272 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Deacetoxycephalosporin C synthase
EC: 1.14.20.1
UniProt: P18548
Pockets: 2 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Deacetoxycephalosporin C synthase (EC 1.14.20.1)	protein	272	33% helix, 23% strand	P18548

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	289	0.60	0.79	33	empty
2	61	0.30	0.74	18	empty

Compared structures

1W28 · Conformational flexibility of the C-terminus with implications for substrate binding and… · 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 0.95

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 1W28 · PDBe 1W28 · UniProt P18548

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