Structure of PDB 7o84 Chain B Binding Site BS02

Receptor Information

>7o84 Chain B (length=407) Species: 762903 (Pseudopedobacter saltans DSM 12145)

GNIYNISSANELNALKLQPGDKVIFKKGNWKNQQINFKANGTKEKPVVLA
AEKGGETIFSGNSNLKIDGNWLVVDGFVFKDGFSEKADVILFTKSTSNSR
ITNSSIINYNHPDKTFDYKWLSLNGENNRVDHCDFTGKTHQGTTLVVWLD
EKPNHHQIDHNYFGPRPALGVNGGETIRIGTSTWSMHDSYTLVENNIFDK
CDGEMEIISLKSGHNTVNNNLFYECDGTVTFRHGNYNTVSNNYILGNGKK
NTGGIRIIGENHKVFGNYLQGLDGSGLRAAISIMSALEKPQLHEYFQVIN
PQIVGNIIADSKEGIDIGAGKNEKRMLPPKDGFLKNNYVINTRTVIKTEN
EPEGLLIENNQTDASSLPKGFTKVGSDLVKSDGIWQKKNDVKTPFWKKEK
IGPEWNN

Ligand information

• Ligand ID: LGU
• 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-AZLKCVHYSA-N
• SMILES:
  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
  OpenEye OEToolkits 1.5.0: [C@@H]1([C@@H]([C@@H](O[C@H]([C@H]1O)O)C(=O)O)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: alpha-L-gulopyranuronic acid;
  alpha-L-guluronic acid;
  L-guluronic acid;
  guluronic acid;
  ALPHA-L-GULURONATE
• ZINC: ZINC000004097166
• PDB chain: 7o84 Chain D Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7o84 Exploring molecular determinants of polysaccharide lyase family 6-1 enzyme activity.
• Resolution: 2.177 Å
• Binding residue (original residue number in PDB): T218 S219 K248
• Binding residue (residue number reindexed from 1): T181 S182 K211
• Annotation score: 4

External links

• PDB: RCSB:7o84, PDBe:7o84, PDBj:7o84
• PDBsum: 7o84
• PubMed: 34245266
• UniProt: F0S7Y7