MolNFT v1 · #129550 · protein

Crystal structure of ectoine synthase from P. lautus

5ONO · L-ectoine synthase: “Crystal structure of ectoine synthase from P. lautus”. X-ray diffraction, 2 ligands (4CS, FE), 1 pocket (best druggability 0.78). MolNFT v1 #129550 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5ONO
Type: protein
Length: 138 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: L-ectoine synthase
EC: 4.2.1.108
UniProt: A0A1R1AV52
Ligands: 4CS, FE
Pockets: 1 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 9% helix, 43% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	L-ectoine synthase (EC 4.2.1.108)	protein	138	9% helix, 43% strand	A0A1R1AV52

Ligands and binding sites

4CS · (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid · ligand · chains A
FE · Fe (III) ion · metal · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	89	0.78	0.99	27	FE, 4CS

Compared structures

5ONO · Crystal Structure of Ectoine Synthase from P. lautus · 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 A0A1R1AV52
Elsewhere: RCSB PDB 5ONO · PDBe 5ONO · UniProt A0A1R1AV52

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