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MolNFT v1 · #154947 · protein

Crystal structure of GH30 xylanase B from talaromyces cellulolyticus expressed by pichia pastoris in complex with aldotriuronic acid

6KRN · Mating factor ALPHA,GH30 xylanase B: “Crystal structure of GH30 xylanase B from talaromyces cellulolyticus expressed by pichia pastoris in complex…”. X-ray diffraction, 5 ligands (GCV, NAG, MAN), 1 pocket (best druggability 0.35).…

PDB
6KRN
Type
protein
Length
456 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Mating factor ALPHA,GH30 xylanase B
UniProt
P25501, A0A4V8H018
Ligands
GCV, NAG, MAN, BMA, XYP
Pockets
1 · best druggability 0.35

Structure

x-ray diffraction · 1 distinct chain · 23% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMating factor ALPHA,GH30 xylanase Bprotein45623% helix, 28% strandP25501, A0A4V8H018

Ligands and binding sites

  • GCV · 4-O-methyl-alpha-D-glucopyranuronic acid · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 10 copies · chains A
  • MAN · alpha-D-mannopyranose · sugar · 4 copies · chains A
  • BMA · beta-D-mannopyranose · sugar · 3 copies · chains A
  • XYP · beta-D-xylopyranose · sugar · 2 copies · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1870.350.7517XYP, GCV

Modifications

Observed in the structure: 5 glycan, 2 disulfide (N-glycosylation, disulfide).

Compared structures

  • 6KRN · Crystal structure of GH30 xylanase B from Talaromyces cellulolyticus expressed by Pichia… · the same entry in another collection · chain A against A, TM-score 1.00
  • P25501 · AlphaFold monomer V2.0 prediction for mating factor alpha (P25501) · a predicted model of the same protein · chain A against A, TM-score 0.11

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