Structure of PDB 8pdt Chain A Binding Site BS03

Receptor Information

>8pdt Chain A (length=231) Species: 179392 (Paradendryphiella salina)

FLTAVSSIDTFLPVLNEAKLQWPTSALAASSEELLGGYVGSQFYLQDGKY
MQFQIAGSSNRCELRQMIPDGGSEIGWAVDDGTTHTATSSIVVPEQVDGV
EEVTIMQIHSGEAPQLRISWIRSKSLDGVAYEDFIMSTVRIGTGDSSDNF
VKTHLADRTAGAMSFQIDVKDSKLTITVNGNVVVNGQDLSFWDGTDSCYF
KAGAYNNNPTSESATARIKFAALAWVDHHHH

Ligand information

• Ligand ID: BEM
• InChI: InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3-,4-,6+/m0/s1
• InChIKey: AEMOLEFTQBMNLQ-SYJWYVCOSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: [C@@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O)C(=O)O)O)O
  OpenEye OEToolkits 1.5.0: C1(C(C(OC(C1O)O)C(=O)O)O)O
  CACTVS 3.341: O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
  ACDLabs 10.04: O=C(O)C1OC(O)C(O)C(O)C1O
  CACTVS 3.341: O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O
• Formula: C6 H10 O7
• Name: beta-D-mannopyranuronic acid;
  beta-D-mannuronic acid;
  D-mannuronic acid;
  mannuronic acid;
  (2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
• ZINC: ZINC000004095780
• PDB chain: 8pdt Chain C Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8pdt Crystal structure of Paradendryphiella salina PL7C alginate lyase soaked with dimannuronic acid
• Resolution: 1.09 Å
• Binding residue (original residue number in PDB): Q36 S40 H124 Y214 K216
• Binding residue (residue number reindexed from 1): Q21 S25 H109 Y199 K201
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0016829 lyase activity

External links

• PDB: RCSB:8pdt, PDBe:8pdt, PDBj:8pdt
• PDBsum: 8pdt
• UniProt: A0A7I9C8Z1