Structure of PDB 1gny Chain A Binding Site BS02

Receptor Information

>1gny Chain A (length=153) Species: 155077 (Cellvibrio japonicus)

GNVVIEVDMANGWRGNASGSTSHSGITYSADGVTFAALGDGVGAVFDIAR
PTTLEDAVIAMVVNVSAEFKASEANLQIFAQLKEDWSKGEWDCLAGSSEL
TADTDLTLTCTIDEDDDKFNQTARDVQVGIQAKGTPAGTITIKSVTITLA
QEA

Ligand information

• Ligand ID: XYP
• InChI: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1
• InChIKey: SRBFZHDQGSBBOR-KKQCNMDGSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1C(C(C(C(O1)O)O)O)O
  CACTVS 3.341: O[C@@H]1CO[C@@H](O)[C@H](O)[C@H]1O
  OpenEye OEToolkits 1.5.0: C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
  CACTVS 3.341: O[CH]1CO[CH](O)[CH](O)[CH]1O
  ACDLabs 10.04: OC1C(O)COC(O)C1O
• Formula: C5 H10 O5
• Name: beta-D-xylopyranose;
  beta-D-xylose;
  D-xylose;
  xylose
• ZINC: ZINC000001529215
• PDB chain: 1gny Chain B Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1gny Structure of a Family 15 Carbohydrate-Binding Module in Complex with Xylopentaose: Evidence that Xylan Binds in an Approximate Three-Fold Helical Conformation
• Resolution: 1.63 Å
• Binding residue (original residue number in PDB): S108 Q171 W176 W181
• Binding residue (residue number reindexed from 1): S18 Q81 W86 W91
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.8: endo-1,4-beta-xylanase.

External links

• PDB: RCSB:1gny, PDBe:1gny, PDBj:1gny
• PDBsum: 1gny
• PubMed: 11598143
• UniProt: Q59675|XY10C_CELJA Endo-beta-1,4-xylanase Xyn10C (Gene Name=xyn10C)