Structure of PDB 5eyx Chain A Binding Site BS02

Receptor Information
>5eyx Chain A (length=240) Species: 500182 (Centrolobium tomentosum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSLSFSFINFDQDERNVIAQGDARISGNNILQLTRTDSDGTPVRSTVGRI
LYSAQVRLWEKSTNRVANFQSQFSFFLESPLSNPADGIAFFIAPPDTAIP
SGSAGGLLGLFSPKTAQNESANQVLAVEFDTFYAQNSNTWDPNYPHIGID
VNSIKSAKTVRWERREGVTLNVLVTYNPSTKTLDVVATYPDGQRYQISVV
VDVTTVLPEWVRVGFSAASGEQFQTHNLESWSFTSTLLYT
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 chain5eyx Chain C 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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PDB5eyx Structural analysis of Centrolobium tomentosum seed lectin with inflammatory activity.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		A85 D86 G106 F132 N138 G220 E221 Q222
Binding residue
(residue number reindexed from 1)		A85 D86 G106 F132 N138 G220 E221 Q222
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005537 D-mannose binding
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding
GO:0090729 toxin activity
Biological Process
GO:0035821 modulation of process of another organism

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5eyx, PDBe:5eyx, PDBj:5eyx
PDBsum5eyx
PubMed26946944
UniProtC0HJX1|LECC1_CENTO Mannose/glucose-specific lectin

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