MolNFT v1 · #118005 · protein

Quorum-sensing signal integrator luxo - catalytic domain in complex with azau inhibitor

5EP2 · Putative repressor protein luxo: “Quorum-sensing signal integrator luxo - catalytic domain in complex with azau inhibitor”. X-ray diffraction, 1 ligand (AZU), 2 pockets (best druggability 0.40). MolNFT v1 #118005 on GenesisL1: 3D…

PDB: 5EP2
Type: protein
Length: 252 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative repressor protein luxo
UniProt: Q1ZS18
Ligands: AZU
Pockets: 2 · best druggability 0.40

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative repressor protein luxo	protein	252	47% helix, 15% strand	Q1ZS18

Ligands and binding sites

AZU · 2,2-dimethylpropyl 2-[[3,5-bis(oxidanylidene)-2~{H}-1,2,4-triazin-6-yl]sulfanyl]ethanoate · ligand · chains A
ACT · Acetate ion · additive · 3 copies · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	102	0.40	0.77	20	AZU
2	54	0.27	0.74	13	ACT

Compared structures

5EP2 · Quorum-Sensing Signal Integrator LuxO - Catalytic Domain in Complex with AzaU Inhibitor · 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 Q1ZS18
Elsewhere: RCSB PDB 5EP2 · PDBe 5EP2 · UniProt Q1ZS18

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