Structure of PDB 4olt Chain A Binding Site BS01

Receptor Information

>4olt Chain A (length=236) Species: 878476 (Pseudomonas sp. LL2(2010))

TVDLDAPVQKDTAMSLVSSFENSSTDWQAQYGYLEDIADGRGYTGGLIGF
TSGTGDMLELVRAYSASSPGNPLEQYIPALEAVNGTDSHAGLGQGFEQAW
ADAAETSEFRAAQDAERDRVYFDPAVAQGKADGLSALGQFAYYDTLVVHG
PGSQRDAFGGIRAEALSAALPPSQGGDETEYLEAFFDARNVIMREEPAHA
DTSRIDTAQRVFLQNGNFDLERPLTWSVYGDQYSLN

Ligand information

• Ligand ID: GCS
• InChI: InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1
• InChIKey: MSWZFWKMSRAUBD-QZABAPFNSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O
  CACTVS 3.341: N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)N)O)O)O
  CACTVS 3.341: N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1N)CO
• Formula: C6 H13 N O5
• Name: 2-amino-2-deoxy-beta-D-glucopyranose;
  beta-D-glucosamine;
  2-amino-2-deoxy-beta-D-glucose;
  2-amino-2-deoxy-D-glucose;
  2-amino-2-deoxy-glucose;
  D-GLUCOSAMINE
• ChEMBL: CHEMBL234432
• ZINC: ZINC000003860468
• PDB chain: 4olt Chain C Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4olt Structural insights into the substrate-binding mechanism for a novel chitosanase.
• Resolution: 1.59 Å
• Binding residue (original residue number in PDB): Y233 D235
• Binding residue (residue number reindexed from 1): Y229 D231
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): E25 D43 T48
• Catalytic site (residue number reindexed from 1): E21 D39 T44
• Enzyme Commision number: 3.2.1.132: chitosanase.

Gene Ontology

Molecular Function

• GO:0016798 hydrolase activity, acting on glycosyl bonds
• GO:0016977 chitosanase activity

Biological Process

• GO:0005975 carbohydrate metabolic process

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:4olt, PDBe:4olt, PDBj:4olt
• PDBsum: 4olt
• PubMed: 24766439
• UniProt: E1AXU1