MolNFT v1 · #189672 · protein

Structure of a specialized glyoxalase from gossypium hirsutum

7VQ6 · Lactoylglutathione lyase: “Structure of a specialized glyoxalase from gossypium hirsutum”. X-ray diffraction, 1 ligand (NI), 4 pockets (best druggability 0.63). MolNFT v1 #189672 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 7VQ6
Type: protein
Length: 343 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lactoylglutathione lyase
EC: 4.4.1.5
UniProt: A0A1U8Q028
Ligands: NI
Pockets: 4 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Lactoylglutathione lyase (EC 4.4.1.5)	protein	175	28% helix, 29% strand	A0A1U8Q028
B	Lactoylglutathione lyase (EC 4.4.1.5)	protein	168	32% helix, 29% strand	A0A1U8Q028

Ligands and binding sites

NI · Nickel (II) ion · metal · 2 copies · chains A, B

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

Pockets

4 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	254	0.63	0.81	34	empty
2	239	0.56	0.77	36	empty
3	63	0.30	0.74	12	empty
4	60	0.27	0.72	12	empty

Interfaces

1 interface between chains.

A–B · 3619 Å² buried · 64 hydrogen bonds · protein-protein

Compared structures

7VQ6 · Structure of a specialized glyoxalase from Gossypium hirsutum · 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 A0A1U8Q028
Elsewhere: RCSB PDB 7VQ6 · PDBe 7VQ6 · UniProt A0A1U8Q028

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