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Crystal structure of alkaline thermophlic xylanase from bacillus sp. (ncl 86-6-10) with complex xylotriose: xylotriose cleaved to xylobiose and xylose

Analyse Crystal structure of alkaline thermophlic xylanase from bacillus sp. (ncl… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2NQY
Type: protein
Length: 412 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Family 11 xylanase
EC: 3.2.1.8
Ligands: XYP
Pockets: 3 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 63% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Family 11 xylanase (EC 3.2.1.8)	protein	206	7% helix, 63% strand	—

Ligands and binding sites

XYP · beta-D-xylopyranose · sugar · 6 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	188	0.56	0.80	25	XYP
2	208	0.56	0.79	27	XYP
3	142	0.40	0.74	17	empty

Interfaces

1 interface between chains.

A–B · 193 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

2NQY · Crystal structure of alkaline thermophlic xylanase from Bacillus sp. (NCL 86-6-10) with… · the same entry in another collection · chain A against A, TM-score 1.00

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Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 2NQY · PDBe 2NQY

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