MolNFT v2 · #226075 · protein

Crystal structure of TsaGH11 complexed with beta-D-xylopyranose (Data I)

8YYN · Endo-1,4-beta-xylanase: “Crystal structure of TsaGH11 complexed with beta-D-xylopyranose (Data I)”. X-ray diffraction at 1.9, 1 ligand (XYP), 2 pockets (best druggability 0.53). MolNFT v2 #226075 on GenesisL1: 3D structure, binding…

PDB: 8YYN
Type: protein
Length: 366 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 1.9
Source: Thermoanaerobacterium saccharolyticum
Molecule: Endo-1,4-beta-xylanase
UniProt: I3VTR8
Ligands: XYP
Pockets: 2 · best druggability 0.53

Structure

x-ray diffraction · resolution 1.9 · 1 distinct chain · 5% helix, 64% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Endo-1,4-beta-xylanase	protein	183	5% helix, 64% strand	I3VTR8

Ligands and binding sites

XYP · beta-D-xylopyranose · sugar · 2 copies · chains A, B
ACT · Acetate ion · additive · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	278	0.53	0.75	47	XYP
2	174	0.48	0.76	26	XYP

Interfaces

1 interface between chains.

A–B · 390 Å² buried · 5 hydrogen bonds · protein-protein

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 I3VTR8
Elsewhere: RCSB PDB 8YYN · PDBe 8YYN · UniProt I3VTR8

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