MolNFT v1 · #41144 · protein

Native family 5 xyloglucanase from paenibacillus pabuli

2JEP: “Native family 5 xyloglucanase from paenibacillus pabuli”. X-ray diffraction, 1 ligand (CA), 3 pockets (best druggability 0.70). MolNFT v1 #41144 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2JEP
Type: protein
Length: 725 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Xyloglucanase
EC: 3.2.1.151
Ligands: CA
Pockets: 3 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Xyloglucanase (EC 3.2.1.151)	protein	363	38% helix, 14% strand	—
B	Xyloglucanase (EC 3.2.1.151)	protein	362	39% helix, 14% strand	—

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains B
EDO · 1,2-ethanediol · additive · 3 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	848	0.70	0.76	70	EDO, CA
2	357	0.58	0.76	46	EDO, CA
3	66	0.33	0.76	16	empty

Interfaces

1 interface between chains.

A–B · 335 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

2JEP · Native family 5 xyloglucanase from Paenibacillus pabuli · 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
Elsewhere: RCSB PDB 2JEP · PDBe 2JEP

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