Structure of PDB 7dfs Chain A Binding Site BS01

Receptor Information
>7dfs Chain A (length=457) Species: 5507 (Fusarium oxysporum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTFNVPSSPPSNSSAQLSDAPVGVSFEFFAFPGYWNDVPSTSTCLQNLKD
LSGTWPPIRIGGTTQDRATYDASSSQQVTYTVANAGDAPSTLTFGPSFMS
LAGTYAGQVTIGFNRRLNNLANTVAAASKAVNEINSLHAIELGNEPNFFS
GSDPIAQGSSWTASADYASEVTWQDAVCGNLSASNLISAGVFFGTSPMSI
AGLTAVEGQANSYVRQYCSHNYPQSKSTANLANLMSHSGIASQIKPFAKE
VAAALAKNKPHVFGETNSATQGGGGISPTYGAGLWLLDYVMQALIMGTET
LYFHHGTIGNCQYCWWGKYSMGSPYFGAYFATMALAGANKIAPLDDQTTG
YAAYAIYKDDKPIRVLLYNSDYYTSGSRPSQTFTLTGLSGSTVSAKRLTA
AASTSRVDAGQSPTVAGQTFENGSCKIQGQSTVESATVSGGKATFTLQAS
EALLVTL
Ligand information
Ligand IDBDP
InChIInChI=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
InChIKeyAEMOLEFTQBMNLQ-QIUUJYRFSA-N
SMILES
SoftwareSMILES
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 1.7.0C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.370O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
ACDLabs 12.01O=C(O)C1OC(O)C(O)C(O)C1O
CACTVS 3.370O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
FormulaC6 H10 O7
Namebeta-D-glucopyranuronic acid;
beta-D-glucuronic acid;
D-glucuronic acid;
glucuronic acid
ChEMBLCHEMBL1159524
DrugBankDB03156
ZINCZINC000004097543
PDB chain7dfs Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7dfs Biochemical and structural characterization of a novel 4-O-alpha-l-rhamnosyl-beta-d-glucuronidase from Fusarium oxysporum.
Resolution1.49 Å
Binding residue
(original residue number in PDB)		E27 G62 T63 E145 E265 T270 Q271 G272 Y313
Binding residue
(residue number reindexed from 1)		E27 G62 T63 E145 E265 T270 Q271 G272 Y313
Annotation score5
Enzymatic activity
Enzyme Commision number 3.2.1.31: beta-glucuronidase.
External links