Structure of PDB 8p6o Chain A Binding Site BS01

Receptor Information

>8p6o Chain A (length=229) Species: 179392 (Paradendryphiella salina)

FLTAVSSIDTFLPVLNEAKLQWPTSALAASSEELLGGYVGSQFYLQDGKY
MQFQIAGSSNRCELRQMIPDGGSEIGWAVDDGTTHTATSSIVVPEQVDGV
EEVTIMQIHSGEAPQLRISWIRSKSLDGVAYEDFIMSTVRIGTGDSSDNF
VKTHLADRTAGAMSFQIDVKDSKLTITVNGNVVVNGQDLSFWDGTDSCYF
KAGAFNNNPTSESATARIKFAALAWVDHH

Ligand information

• Ligand ID: MAV
• 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-BYHBOUFCSA-N
• SMILES:
  OpenEye OEToolkits 1.7.0: [C@@H]1([C@@H]([C@H](O[C@@H]([C@H]1O)O)C(=O)O)O)O
  OpenEye OEToolkits 1.7.0: C1(C(C(OC(C1O)O)C(=O)O)O)O
  CACTVS 3.370: O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
  CACTVS 3.370: O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O
  ACDLabs 12.01: O=C(O)C1OC(O)C(O)C(O)C1O
• Formula: C6 H10 O7
• Name: alpha-D-mannopyranuronic acid;
  alpha-D-mannuronic acid;
  D-mannuronic acid;
  mannuronic acid
• DrugBank: DB01982
• PDB chain: 8p6o Chain B Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8p6o Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant Y220F in complex with di-mannuronic acid
• Resolution: 1.05 Å
• Binding residue (original residue number in PDB): P129 R132 R155
• Binding residue (residue number reindexed from 1): P114 R117 R140
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0016829 lyase activity

External links

• PDB: RCSB:8p6o, PDBe:8p6o, PDBj:8p6o
• PDBsum: 8p6o
• UniProt: A0A7I9C8Z1