MolNFT v1 · #75065 · protein

Crystal structure of the lactobacillus johnsonii cinnamoyl esterase LJ0536

3PF8: “Crystal structure of the lactobacillus johnsonii cinnamoyl esterase LJ0536”. X-ray diffraction, 1 ligand (NA), 6 pockets (best druggability 0.77). MolNFT v1 #75065 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3PF8
Type: protein
Length: 495 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cinnamoyl esterase
EC: 3.1.1.-
UniProt: D3YEX6
Ligands: NA
Pockets: 6 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cinnamoyl esterase (EC 3.1.1.-)	protein	251	33% helix, 27% strand	D3YEX6
B	Cinnamoyl esterase (EC 3.1.1.-)	protein	244	34% helix, 30% strand	D3YEX6

Ligands and binding sites

NA · Sodium ion · metal · 3 copies · chains A, B

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

Pockets

6 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	113	0.77	0.95	21	NA
2	181	0.58	0.81	33	empty
3	119	0.54	0.83	28	empty
4	124	0.50	0.80	31	empty
5	102	0.48	0.80	23	empty

Interfaces

1 interface between chains.

A–B · 1277 Å² buried · 16 hydrogen bonds · protein-protein

Compared structures

3PF8 · Crystal structure of the Lactobacillus johnsonii cinnamoyl esterase LJ0536 · 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 D3YEX6
Elsewhere: RCSB PDB 3PF8 · PDBe 3PF8 · UniProt D3YEX6

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