Structure of PDB 5eyx Chain A Binding Site BS01

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 IDMMA
InChIInChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
InChIKeyHOVAGTYPODGVJG-VEIUFWFVSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(O)C(OC1OC)CO
OpenEye OEToolkits 1.5.0CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
CACTVS 3.341CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0COC1C(C(C(C(O1)CO)O)O)O
FormulaC7 H14 O6
Namemethyl alpha-D-mannopyranoside;
O1-METHYL-MANNOSE;
methyl alpha-D-mannoside;
methyl D-mannoside;
methyl mannoside
ChEMBLCHEMBL195368
DrugBankDB01979
ZINCZINC000004261920
PDB chain5eyx Chain C Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5eyx Structural analysis of Centrolobium tomentosum seed lectin with inflammatory activity.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		F132 S137 E221 Q222
Binding residue
(residue number reindexed from 1)		F132 S137 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

[Back to BioLiP]