MolNFT v1 · #175432 · protein

Plsy grown in lcp soaked with selenourea for 22 min

7CQM · Glycerol-3-phosphate acyltransferase: “Plsy grown in lcp soaked with selenourea for 22 min”. X-ray diffraction, 3 ligands (79M, SEY, SO4), 5 pockets (best druggability 0.73). MolNFT v1 #175432 on GenesisL1: 3D structure, binding…

PDB: 7CQM
Type: protein
Length: 400 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glycerol-3-phosphate acyltransferase
EC: 2.3.1.275
UniProt: O66905
Ligands: 79M, SEY, SO4
Pockets: 5 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 76% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Glycerol-3-phosphate acyltransferase (EC 2.3.1.275)	protein	200	76% helix, 1% strand	O66905

Ligands and binding sites

79M · (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate · ligand · 18 copies · chains A, B
SEY · selenourea · ligand · 15 copies · chains A, B
SO4 · Sulfate ion · ion · 12 copies · 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, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	542	0.73	0.81	62	SEY, SO4, 79M
2	522	0.72	0.81	61	SEY, SO4, 79M
3	292	0.57	0.76	32	79M
4	176	0.47	0.75	28	79M
5	55	0.36	0.79	13	SEY

Interfaces

1 interface between chains.

A–B · 729 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

7CQM · PlsY grown in LCP soaked with selenourea for 22 min · the same entry in another collection · chain A against A, TM-score 1.00
O66905 · AlphaFold monomer V2.0 prediction for glycerol-3-phosphate acyltransferase (O66905) · a predicted model of the same protein · chain A against A, TM-score 0.92

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 O66905
Elsewhere: RCSB PDB 7CQM · PDBe 7CQM · UniProt O66905

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