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Receptor Information

>6htn Chain B (length=143) Species: 701523 (Kordia periserrulae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GATSWLDGSGQIHLRIYSLQQSNGKLLERCWDSNKWYDGALTNQFSAISG
AGATSWLDSSGQIHIRVYAIGTDGKIIELCWDKDKWYSGALTGQFYGAST
PDATSWLDKNGQIHIRVYAYNQDNVQKEYCWDGSKWYVGAYTE

Ligand ID

MFU

InChI

InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1

InChIKey

OHWCAVRRXKJCRB-CXNFULCWSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	CC1C(C(C(C(O1)OC)O)O)O
OpenEye OEToolkits 1.5.0	C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O
ACDLabs 10.04	OC1C(O)C(O)C(OC1OC)C
CACTVS 3.341	CO[CH]1O[CH](C)[CH](O)[CH](O)[CH]1O
CACTVS 3.341	CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O

Formula

C7 H14 O5

Name

methyl alpha-L-fucopyranoside;
ALPHA-L-METHYL-FUCOSE;
methyl 6-deoxy-alpha-L-galactopyranoside;
methyl alpha-L-fucoside;
methyl L-fucoside;
methyl fucoside

PDB chain

6htn Chain B Residue 202 [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	6htn Architecture and Evolution of Blade Assembly in beta-propeller Lectins.
Resolution	1.55 Å
Binding residue (original residue number in PDB)	R67 E79 A91 W132 W137
Binding residue (residue number reindexed from 1)	R66 E78 A90 W131 W136
Annotation score	1
Binding affinity	MOAD: Kd=0.86uM

Enzyme Commision number

	Molecular Function
GO:0030246	carbohydrate binding

PDB	RCSB:6htn, PDBe:6htn, PDBj:6htn
PDBsum	6htn
PubMed	30853410
UniProt	A0A2T6C3M6

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Structure of PDB 6htn Chain B Binding Site BS03