Structure of PDB 9c4i Chain B Binding Site BS04

Receptor Information
>9c4i Chain B (length=241) Species: 500177 (Centrolobium microchaete) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDSLSFSFINFDKDERNVIAQGDARIVGNNILQLTRTDSNGSPVKSTVGR
ILYVAQVRLWEKSTNRVANFQSQFSFFLESPLSNPADGIAFFIAPPDTAI
PSGSAGGLLGLFSPKTAQNESANQVLAVEFDTFYAQNSNTWDPNYPHIGI
DVNSIKSAKTVRWERREGVTLNVLVTYNPSTRTLDVVATYPDGQRYDISV
VVDVTTVLPEWVRVGFSAASGEQFQTHNLESWSFTSTLLYT
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain9c4i Chain B Residue 302 [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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PDB9c4i Centrolobium microchaete seed lectin (CML) complexed with Man1-3Man-OMe
Resolution1.3 Å
Binding residue
(original residue number in PDB)		E129 D131 D142 H147
Binding residue
(residue number reindexed from 1)		E129 D131 D142 H147
Annotation score4
Gene Ontology
Molecular Function
GO:0005537 D-mannose binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:9c4i, PDBe:9c4i, PDBj:9c4i
PDBsum9c4i
PubMed
UniProtC0HK20|LECC1_CENMI Mannose-specific lectin CML-2

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