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Receptor Information

>4k1z Chain D (length=237) Species: 232300 (Canavalia boliviana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTA
HIIYNSVGKRLSAVVSYPNGDSATVSYDVDLDNVLPEWVRVGLSATTGLY
KETNTILSWSFTSKLKSNSTHETNALHFMFNQFSKDQKDLILQGDATTGR
DGNLELTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFDATFTFLIK
SSDSHPADGIAFFISNIDSSIPSGSTGRLLGLFPDAN

Ligand ID

MMA

InChI

InChI=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

InChIKey

HOVAGTYPODGVJG-VEIUFWFVSA-N

SMILES

Software	SMILES
CACTVS 3.341	CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04	OC1C(O)C(O)C(OC1OC)CO
OpenEye OEToolkits 1.5.0	CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
CACTVS 3.341	CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0	COC1C(C(C(C(O1)CO)O)O)O

Formula

C7 H14 O6

Name

methyl alpha-D-mannopyranoside;
O1-METHYL-MANNOSE;
methyl alpha-D-mannoside;
methyl D-mannoside;
methyl mannoside

PDB chain

4k1z Chain H Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4k1z Structural Studies of an Anti-Inflammatory Lectin from Canavalia boliviana Seeds in Complex with Dimannosides.
Resolution	2.3 Å
Binding residue (original residue number in PDB)	Y12 Y100
Binding residue (residue number reindexed from 1)	Y12 Y100
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0005537	D-mannose binding
GO:0030246	carbohydrate binding
GO:0046872	metal ion binding

PDB	RCSB:4k1z, PDBe:4k1z, PDBj:4k1z
PDBsum	4k1z
PubMed	24865454
UniProt	A0A023GPI8\|LECA_CANBL Lectin alpha chain

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Structure of PDB 4k1z Chain D Binding Site BS01