Structure of PDB 3vpl Chain A Binding Site BS05

Receptor Information

>3vpl Chain A (length=324) Species: 678 (Vibrio sp.)

LDGVLVPESGILVSVGQDVDSVNDYASALGTIPAGVTNYVGIVNLDGLNS
DADAGAGRNNIAELANAYPTSALVVGVSMNGEVDAVASGRYNANIDTLLN
TLAGYDRPVYLRWAYEVDGPWNGHSPSGIVTSFQYVHDRIIALGHQAKIS
LVWQVASYCPTPGGQLDQWWPGSEYVDWVGLSYFAPQDCNWDRVNEAAQF
ARSKGKPLFLNESTPQRYQVADLTYSADPAKGTNRQSKTSQQLWDEWFAP
YFQFMSDNSDIVKGFTYINADWDSQWRWAAPYNEGYWGDSRVQANALIKS
NWQQEIAKGQYINHSETLFETLGY

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: 3vpl Chain C Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3vpl Mechanistic insights into the 1,3-xylanases: useful enzymes for manipulation of algal biomass
• Resolution: 1.2 Å
• Binding residue (original residue number in PDB): R277 E284
• Binding residue (residue number reindexed from 1): R277 E284
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.32: endo-1,3-beta-xylanase.

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds

External links

• PDB: RCSB:3vpl, PDBe:3vpl, PDBj:3vpl
• PDBsum: 3vpl
• UniProt: D5MP61|3XYN1_VIBSX Beta-1,3-xylanase XYL4 (Gene Name=xyl4)