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Enterobacter cloacae GC1 class C beta-lactamase complexed with penem WAY185229

Analyse Enterobacter cloacae GC1 class C beta-lactamase complexed with penem WAY185229 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1Q2Q
Type: protein
Length: 359 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Class C beta-lactamase
EC: 3.5.2.6
UniProt: Q59401
Ligands: WY2
Pockets: 2 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Class C beta-lactamase (EC 3.5.2.6)	protein	359	40% helix, 23% strand	Q59401

Ligands and binding sites

WY2 · (6,7-dihydro-5H-cyclopenta[d]imidazo[2,1-b]thiazol-2-yl]-4,7-dihydro[1,4]thiazepine-3,6-dicarboxylic acid · ligand · chains A
GOL · Glycerol · additive · 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	344	0.65	0.80	55	WY2
2	104	0.39	0.75	20	empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

1Q2Q · Enterobacter cloacae GC1 class C beta-lactamase complexed with penem WAY185229 · 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 Q59401
Elsewhere: RCSB PDB 1Q2Q · PDBe 1Q2Q · UniProt Q59401

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