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Structure of PDB 6rg2 Chain B Binding Site BS02

Receptor Information
>6rg2 Chain B (length=343) Species: 243265 (Photorhabdus laumondii subsp. laumondii TTO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IALSEIVSVVNTSDGRIEVFGVGTDNAVWHNRQTAPHSGSSWTGWISLNG
KVTSKPVVYINTDGRLEVFARGTDNALWHIWQTATNAGWSNWQSLGGTIT
SNPAVYVNTDGRIDVFARGTDNALWHISQTAAHSGPWSSWQSLNGVITSN
PAVHINSDGRLEVFARGTDNALWHIWQTAPDSNQWSGWDSLGGVITSDPV
VIGTADGRLEVFARGSNNALYHIWQTVPHGGPWSNWASLNGVITSAPAVV
KNSDGRLEVFARGTNNALYHIWQTVSHSGPWSNWATLNGTITSAPTAVED
ADGRLEVFARGTDNALWNIWQATPSWSAWVSLKGSLIDASAIK
Ligand information
Ligand ID3MG
InChIInChI=1S/C7H14O6/c1-12-6-4(9)3(2-8)13-7(11)5(6)10/h3-11H,2H2,1H3/t3-,4-,5-,6+,7-/m1/s1
InChIKeySCBBSJMAPKXHAH-BNWJMWRWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0COC1C(C(OC(C1O)O)CO)O
CACTVS 3.341CO[CH]1[CH](O)[CH](O)O[CH](CO)[CH]1O
ACDLabs 10.04O(C1C(O)C(OC(O)C1O)CO)C
OpenEye OEToolkits 1.5.0CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O
CACTVS 3.341CO[C@@H]1[C@@H](O)[C@H](O)O[C@H](CO)[C@H]1O
FormulaC7 H14 O6
Name3-O-methyl-beta-D-glucopyranose;
3-O-methyl-beta-D-glucose;
3-O-methyl-D-glucose;
3-O-methyl-glucose
ChEMBL
DrugBank
ZINCZINC000003861773
PDB chain6rg2 Chain B Residue 402 [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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PDB6rg2 Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Resolution1.12 Å
Binding residue
(original residue number in PDB)		G78 K79 G100 T101 D102 W106 W120
Binding residue
(residue number reindexed from 1)		G50 K51 G72 T73 D74 W78 W92
Annotation score1
Binding affinityMOAD: Kd=11.2mM
Enzymatic activity
Enzyme Commision number ?
External links

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