Structure of PDB 2wq4 Chain B Binding Site BS01

Receptor Information
>2wq4 Chain B (length=130) Species: 216591 (Burkholderia cenocepacia J2315) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLLSASIVSAPVVTSETYVDIPGLYLDVAKAGIRDGKLQVILNVPTPYAT
GNNFPGIYFAIATNQGVVADGCFTYSSKVPESTGRMPFTLVATIDVGSGV
TFVKGQWKSVRGSAMHIDSYASLSAIWGTA
Ligand information
Ligand IDSFU
InChIInChI=1S/C7H14O4Se/c1-3-4(8)5(9)6(10)7(11-3)12-2/h3-10H,1-2H3/t3-,4+,5+,6-,7-/m0/s1
InChIKeyVHTNTJQSKJZERS-XUVCUMPTSA-N
SMILES
SoftwareSMILES
CACTVS 3.352C[Se][C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.6.1C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O
CACTVS 3.352C[Se][CH]1O[CH](C)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.6.1CC1C(C(C(C(O1)[Se]C)O)O)O
ACDLabs 10.04OC1C(O)C(O)C(OC1[Se]C)C
FormulaC7 H14 O4 Se
Namemethyl 1-seleno-alpha-L-fucopyranoside;
METHYL 6-DEOXY-1-SELENO-ALPHA-L-GALACTOPYRANOSIDE;
methyl 1-seleno-alpha-L-fucoside;
methyl 1-seleno-L-fucoside;
methyl 1-seleno-fucoside
ChEMBL
DrugBank
ZINC
PDB chain2wq4 Chain B Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wq4 A Tnf-Like Trimeric Lectin Domain from Burkholderia Cenocepacia with Specificity for Fucosylated Human Histo-Blood Group Antigens
Resolution1.42 Å
Binding residue
(original residue number in PDB)		Y48 T83 G84 R85
Binding residue
(residue number reindexed from 1)		Y48 T83 G84 R85
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links