Structure of PDB 1u4j Chain A Binding Site BS01

Receptor Information
>1u4j Chain A (length=118) Species: 132961 (Bungarus caeruleus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLKQFKNMIQCAGTRTWTSYIGYGCYCGYGGSGTPVDELDRCCYTHDHCY
NKAANIPGCNPLIKTYSYTCTKPNITCNDTSDSCARFICDCDRTAAICFA
SAPYNINNIMISASTSCQ
Ligand information
Ligand IDMAN
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-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain1u4j Chain B Residue 1008 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1u4j Crystal structure of a carbohydrate induced homodimer of phospholipase A(2) from Bungarus caeruleus at 2.1A resolution
Resolution2.18 Å
Binding residue
(original residue number in PDB)		Y31 G32 D49
Binding residue
(residue number reindexed from 1)		Y29 G30 D47
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y28 G30 G32 H48 D49 Y52 Y68 D94
Catalytic site (residue number reindexed from 1) Y26 G28 G30 H46 D47 Y50 Y66 D92
Enzyme Commision number 3.1.1.4: phospholipase A2.
Gene Ontology
Molecular Function
GO:0004623 phospholipase A2 activity
GO:0005509 calcium ion binding
GO:0005543 phospholipid binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0047498 calcium-dependent phospholipase A2 activity
GO:0090729 toxin activity
Biological Process
GO:0006644 phospholipid metabolic process
GO:0016042 lipid catabolic process
GO:0035821 modulation of process of another organism
GO:0050482 arachidonate secretion
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1u4j, PDBe:1u4j, PDBj:1u4j
PDBsum1u4j
PubMed15721580
UniProtQ6SLM1|PA2B5_BUNCE Basic phospholipase A2 2 (Fragment)

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