MolNFT v1 · #10718 · protein

Crystal structure of the xylanase cex with xylobiose-derived inhibitor isofagomine lactam

1J01 · Beta-1,4-xylanase: “Crystal structure of the xylanase cex with xylobiose-derived inhibitor isofagomine lactam”. X-ray diffraction, 1 ligand (XIL), 1 pocket (best druggability 0.37). MolNFT v1 #10718 on GenesisL1: 3D structure…

PDB: 1J01
Type: protein
Length: 312 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-1,4-xylanase
EC: 3.2.1.91
UniProt: P07986
Ligands: XIL
Pockets: 1 · best druggability 0.37

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-1,4-xylanase (EC 3.2.1.91)	protein	312	45% helix, 21% strand	P07986

Ligands and binding sites

XIL · (3S,4R)-3-hydroxy-2-oxopiperidin-4-yl beta-D-xylopyranoside · ligand · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	90	0.37	0.76	21	XIL

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

1J01 · Crystal Structure Of The Xylanase Cex With Xylobiose-Derived Inhibitor Isofagomine lactam · the same entry in another collection · chain A against A, TM-score 1.00
P07986 · AlphaFold monomer V2.0 prediction for EXOGLUCANASE/XYLANASE (P07986) · a predicted model of the same protein · 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 P07986
Elsewhere: RCSB PDB 1J01 · PDBe 1J01 · UniProt P07986

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