Structure of PDB 7wxp Chain A Binding Site BS01

Receptor Information

>7wxp Chain A (length=311) Species: 93218 (Pandoraea apista)

CPAPPPGSPDIRAIGYYTDAARSVIDPRLKTQNDAAVKPLNAFAAHVAKF
ADAYAKGADEAAGRCALTWLDAWARSGAMLGRMAHVNNDQSDYMRQWTHG
AAAMAYLRTQALASEQQRTDIETWLKRLSAANLAYWDNPKHKRNNAYYWT
GVGIMATAVATRDDTLLNTAQGIYRAGIDAIEPDGRLPMEMARKRLALHY
HDYATAPLVLMAEMARLQGEDWYTYRQGALERLAARVADGYRDPSWFNTQ
SGAVQETATPKASSGWVEFYRLRSPDPMRFDAMHAAGPFQDPRMGGNLTL
MAQEGIVPLPQ

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: 7wxp Chain X Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7wxp Distinct Modes of Hidden Structural Dynamics in the Functioning of an Allosteric Polysaccharide Lyase.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): Y43 Q116 Y119 N171 Y226
• Binding residue (residue number reindexed from 1): Y17 Q90 Y93 N145 Y200
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 4.2.2.3: mannuronate-specific alginate lyase.

Gene Ontology

Molecular Function

• GO:0016829 lyase activity

Cellular Component

• GO:0042597 periplasmic space

External links

• PDB: RCSB:7wxp, PDBe:7wxp, PDBj:7wxp
• PDBsum: 7wxp
• PubMed: 35912344
• UniProt: A0A5E5PAL9