Structure of PDB 7dfs Chain A Binding Site BS03

Receptor Information

>7dfs Chain A (length=457) Species: 5507 (Fusarium oxysporum)

LTFNVPSSPPSNSSAQLSDAPVGVSFEFFAFPGYWNDVPSTSTCLQNLKD
LSGTWPPIRIGGTTQDRATYDASSSQQVTYTVANAGDAPSTLTFGPSFMS
LAGTYAGQVTIGFNRRLNNLANTVAAASKAVNEINSLHAIELGNEPNFFS
GSDPIAQGSSWTASADYASEVTWQDAVCGNLSASNLISAGVFFGTSPMSI
AGLTAVEGQANSYVRQYCSHNYPQSKSTANLANLMSHSGIASQIKPFAKE
VAAALAKNKPHVFGETNSATQGGGGISPTYGAGLWLLDYVMQALIMGTET
LYFHHGTIGNCQYCWWGKYSMGSPYFGAYFATMALAGANKIAPLDDQTTG
YAAYAIYKDDKPIRVLLYNSDYYTSGSRPSQTFTLTGLSGSTVSAKRLTA
AASTSRVDAGQSPTVAGQTFENGSCKIQGQSTVESATVSGGKATFTLQAS
EALLVTL

Ligand information

• Ligand ID: GCU
• 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-WAXACMCWSA-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
  CACTVS 3.341: O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(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
• Formula: C6 H10 O7
• Name: alpha-D-glucopyranuronic acid;
  alpha-D-glucuronic acid;
  D-glucuronic acid;
  glucuronic acid
• ZINC: ZINC000004213449
• PDB chain: 7dfs Chain C Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7dfs Biochemical and structural characterization of a novel 4-O-alpha-l-rhamnosyl-beta-d-glucuronidase from Fusarium oxysporum.
• Resolution: 1.49 Å
• Binding residue (original residue number in PDB): G317 Y319 S320 D408
• Binding residue (residue number reindexed from 1): G317 Y319 S320 D408
• Annotation score: 5

Enzymatic activity

• Enzyme Commision number: 3.2.1.31: beta-glucuronidase.

External links

• PDB: RCSB:7dfs, PDBe:7dfs, PDBj:7dfs
• PDBsum: 7dfs
• PubMed: 33645879
• UniProt: A0A7I8AV45