Structure of PDB 4izx Chain A Binding Site BS01

Receptor Information
>4izx Chain A (length=139) Species: 56183 (Macrolepiota procera) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TQVSSGQTYKITNVKAGTVIDLSGEDNKSIIGYPYHSGKNQQWTFNWTGK
AWTLRSASSGSYLGIEGTPADGTRLVAVNDPFEWHIWRDEANENAFRIFV
PFTNYNLDLSGYGDTTPGTPVQLWWTWEGLHQTWTIDRP
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 chain4izx 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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PDB4izx Macrolepiota procera ricin B-like lectin (MPL) in complex with lactose
Resolution1.1 Å
Binding residue
(original residue number in PDB)		D22 S24 G25 Y34 H37 N41
Binding residue
(residue number reindexed from 1)		D21 S23 G24 Y33 H36 N40
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0042802 identical protein binding

View graph for
Molecular Function
External links
PDB RCSB:4izx, PDBe:4izx, PDBj:4izx
PDBsum4izx
PubMed
UniProtF6KMV5

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