Structure of PDB 1w3a Chain A Binding Site BS02

Receptor Information
>1w3a Chain A (length=312) Species: 5630 (Laetiporus sulphureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIYIPPEGLYFRLLGFASRQVIFARNSPSPDVGLSPVNDQATDQYFSLIY
GTGEHAGLYAIKSKATGKVLFSRRPAEPYVGQIDGDGRYPDNWFKIEPGK
TYLSKYFRLVQPSTGTALVSRTHLQPYFWNHPQTEVFDDQYFTFLFEDMS
IDKIEYDLKDGRILSSTPNVLATQTLENTSSQTQEMSFNLSQTLTQTSTF
AYTAGFTIAVGTAFKAGVPIFAETEFKVDISVDNQWNWGEENTFSKTYTA
TFSVRAGPGETVKAVSTVDSGIINVPFTAYLSSKSTGFEVTTEGIWRGVS
SWDLRHTLTSVT
Ligand information
Ligand IDGAL
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain1w3a Chain B Residue 2 [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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PDB1w3a Structural Analysis of the Laetiporus Sulphureus Hemolytic Pore-Forming Lectin in Complex with Sugars
Resolution2.65 Å
Binding residue
(original residue number in PDB)		R123 H125 H133 F139 D141
Binding residue
(residue number reindexed from 1)		R121 H123 H131 F137 D139
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding

View graph for
Molecular Function
External links
PDB RCSB:1w3a, PDBe:1w3a, PDBj:1w3a
PDBsum1w3a
PubMed15687495
UniProtQ7Z8V1

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