Structure of PDB 9c4i Chain A Binding Site BS04

Receptor Information
>9c4i Chain A (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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain9c4i Chain A Residue 302 [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]
PDB9c4i Centrolobium microchaete seed lectin (CML) complexed with Man1-3Man-OMe
Resolution1.3 Å
Binding residue
(original residue number in PDB)		D131 F133 N139 D142
Binding residue
(residue number reindexed from 1)		D131 F133 N139 D142
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

[Back to BioLiP]