Research workbench

Human glyoxalase I (with C-ter his tag) in glycerol-bound form

Analyse Human glyoxalase I (with C-ter his tag) in glycerol-bound form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7WSZ
Type: protein
Length: 357 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lactoylglutathione lyase
EC: 4.4.1.5
UniProt: Q04760
Ligands: ZN, BO3
Pockets: 5 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 28% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Lactoylglutathione lyase (EC 4.4.1.5)	protein	183	28% helix, 28% strand	Q04760
B	Lactoylglutathione lyase (EC 4.4.1.5)	protein	174	27% helix, 29% strand	Q04760

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · chains A, B
BO3 · Boric acid · ion · 3 copies · chains A, B
GOL · Glycerol · additive · 4 copies · chains A, B
BME · Beta-mercaptoethanol · additive · 2 copies · chains A, B
IMD · Imidazole · additive · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	363	0.63	0.78	37	BO3
2	198	0.54	0.78	25	GOL, BO3
3	161	0.44	0.75	28	IMD, GOL
4	145	0.43	0.75	31	GOL, BO3
5	72	0.38	0.78	11	empty

Interfaces

1 interface between chains.

A–B · 3786 Å² buried · 44 hydrogen bonds · protein-protein

Compared structures

7WSZ · human glyoxalase I (with C-ter His tag) in glycerol-bound form · the same entry in another collection · chain B against B, TM-score 1.00
Q04760 · AlphaFold monomer V2.0 prediction for lactoylglutathione lyase (Q04760) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 Q04760
Elsewhere: RCSB PDB 7WSZ · PDBe 7WSZ · UniProt Q04760

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