Structure of PDB 1urx Chain A Binding Site BS04

Receptor Information

>1urx Chain A (length=268) Species: 63186 (Zobellia galactanivorans)

QDWNGIPVPANPGNGMTWQLQDNVSDSFNYTSSEGNRPTAFTSKWKPSYI
NGWTGPGSTIFNAPQAWTNGSQLAIQAQPAGNGKSYNGIITSKNKIQYPV
YMEIKAKIMDQVLANAFWTLTDDETQSIDIMEGYGSDRGGTWFAQRMHLS
HHTFIRNPFTDYQPMGDATWYYNGGTPWRSAYHRYGCYWKDPFTLEYYID
GVKVRTVTRAEIDPNNHLGGTGLNQATNIIIDCENQTDWRPAATQEELAD
DSKNIFWVDWIRVYKPVA

Ligand information

• Ligand ID: AAL
• InChI: InChI=1S/C6H10O5/c7-3-2-1-10-5(3)4(8)6(9)11-2/h2-9H,1H2/t2-,3+,4-,5+,6+/m0/s1
• InChIKey: DCQFFOLNJVGHLW-DSOBHZJASA-N
• SMILES:
  OpenEye OEToolkits 1.7.0: C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O)O)O
  ACDLabs 11.02: OC2OC1C(O)C(OC1)C2O
  OpenEye OEToolkits 1.7.0: C1C2C(C(O1)C(C(O2)O)O)O
  CACTVS 3.352: O[CH]1O[CH]2CO[CH]([CH]1O)[CH]2O
  CACTVS 3.352: O[C@@H]1O[C@H]2CO[C@@H]([C@@H]1O)[C@@H]2O
• Formula: C6 H10 O5
• Name: 3,6-anhydro-alpha-L-galactopyranose;
  3,6-ANHYDRO-L-GALACTOSE;
  3,6-anhydro-alpha-L-galactose;
  3,6-anhydro-galactose
• ZINC: ZINC000005851684
• PDB chain: 1urx Chain B Residue 4

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1urx Parallel Substrate Binding Sites in a Beta-Agarase Suggest a Novel Mode of Action on Double-Helical Agarose
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): N71 E144
• Binding residue (residue number reindexed from 1): N51 E124
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.2.1.81: beta-agarase.

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
• GO:0033916 beta-agarase activity

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:1urx, PDBe:1urx, PDBj:1urx
• PDBsum: 1urx
• PubMed: 15062085
• UniProt: G0L322|AGAA_ZOBGA Beta-agarase A (Gene Name=agaA)