Structure of PDB 8rbn Chain A Binding Site BS02

Receptor Information

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

FLTAVSSIDTFLPVLNEAKLQWPTSALAASSEELLGGYVGSQFYLQDGKY
MQFQIAGSSNRCELRQMIPDGGSEIGWAVDDGTTHTATSSIVVPEQVDGV
EEVTIMQIHSGEAPQLRISWIRSKSLDGVAYEDFIMSTVRIGTGDSSDNF
VKTHLADRTAGAMSFQIDVKDSKLTITVNGNVVVNGQDLSFWDGTDSCYF
KAGAYNNNPTSESATARIKFAALAWVDHHHH

Ligand information

• Ligand ID: MAW
• InChI: InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4-,6+/m0/s1
• InChIKey: IAKKJSVSFCTLRY-NVFHJIOMSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: C1=C(OC(C(C1O)O)O)C(=O)O
  OpenEye OEToolkits 2.0.7: C1=C(O[C@H]([C@H]([C@H]1O)O)O)C(=O)O
  CACTVS 3.385: O[CH]1OC(=C[CH](O)[CH]1O)C(O)=O
  ACDLabs 12.01: OC1C(O)C(O)C=C(O1)C(=O)O
  CACTVS 3.385: O[C@@H]1OC(=C[C@H](O)[C@@H]1O)C(O)=O
• Formula: C6 H8 O6
• Name: 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid;
  4-deoxy-alpha-L-erythro-hex-4-enuronic acid;
  4-deoxy-L-erythro-hex-4-enuronic acid;
  4-deoxy-erythro-hex-4-enuronic acid
• DrugBank: DB02734
• PDB chain: 8rbn Chain B Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8rbn Neutron structure of alginate lysase PsPL7C from Paradendryphiella salina soaked with penta-mannuronic acid
• Resolution: 2.1 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: 1

Gene Ontology

Molecular Function

• GO:0016829 lyase activity

External links

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