MolNFT v1 · #177229 · protein

Crystal structure of a feruloyl esterase LP_0796 from lactobacillus plantarum

7EBO · Carboxylesterase: “Crystal structure of a feruloyl esterase LP_0796 from lactobacillus plantarum”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.78). MolNFT v1 #177229 on GenesisL1: 3D structure, binding sites…

PDB: 7EBO
Type: protein
Length: 484 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Carboxylesterase
EC: 3.1.1.1
UniProt: F9UM18
Ligands: SO4
Pockets: 4 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 50% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Carboxylesterase (EC 3.1.1.1)	protein	242	52% helix, 15% strand	F9UM18
B	Carboxylesterase (EC 3.1.1.1)	protein	242	48% helix, 14% strand	F9UM18

Ligands and binding sites

SO4 · Sulfate ion · ion · chains A

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

Pockets

4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	505	0.78	0.85	45	empty
2	111	0.68	0.91	16	empty
3	209	0.62	0.82	28	empty
4	115	0.58	0.85	34	empty

Interfaces

1 interface between chains.

A–B · 1648 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

7EBO · Crystal structure of a feruloyl esterase LP_0796 from Lactobacillus plantarum · 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 F9UM18
Elsewhere: RCSB PDB 7EBO · PDBe 7EBO · UniProt F9UM18

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