Structure of PDB 6bgc Chain B Binding Site BS02

Receptor Information

>6bgc Chain B (length=372) Species: 243276 (Treponema pallidum subsp. pallidum str. Nichols) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LYFQGRDKPLVFFNRQPSDPLTGKVDMAAMNWNDKTYYVGFDAKFGGSIQ
GKMILDFLASSESSVDRNGDGIIGYVLCIGDVGHNDSKVRTEGIRRALGT
WTGSSDPGQAKEGQAVVGGKSYKVVELEGKAMTGTDGSTANTNSATESMG
SWVAKFADKIDLVISNNDGMAMGCLQASNYPRGLPIFGYDANADAVESVG
KGELTGTVSQNVDAQAVAVLQIIRNLLDGSSGEDVVANGISRPDAHGNKI
SAPVQYWEDVKAIMADNSEVTSANWKEYTRGARDAGVRQVSAPTKKVLLT
VHNASNDFLASAYLPALKHYAPLLNVDLTVVQGDGQNELSCLDKFTNLDM
FDAFAVNMVKTNSGADYTDKLK

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

6bgc Chain B Residue 402 [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	6bgc Crystal structures of MglB-2 (TP0684), a topologically variant d-glucose-binding protein from Treponema pallidum, reveal a ligand-induced conformational change.
Resolution	2.082 Å
Binding residue (original residue number in PDB)	D71 N73 D75 I77 D166
Binding residue (residue number reindexed from 1)	D66 N68 D70 I72 D161
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0030246	carbohydrate binding

	Cellular Component
GO:0005886	plasma membrane
GO:0030288	outer membrane-bounded periplasmic space

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Molecular Function

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Cellular Component

External links

PDB	RCSB:6bgc, PDBe:6bgc, PDBj:6bgc
PDBsum	6bgc
PubMed	29318719
UniProt	Q08255\|MGLB_TREPA Glucose/galactose-binding lipoprotein (Gene Name=mglB)

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