Structure of PDB 4rs3 Chain A Binding Site BS02

Receptor Information

>4rs3 Chain A (length=315) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TKRIGVTVYDMSSFITEGKEGMDTYAKANNIELVWNSANNDVSTQASQVD
SLINQGVDAIIVVPVQADSLGPQVASAKSKGIPLLAVNAALETPDLAGNV
QPDDVAAGAQEMQMMADRLGGKGNIVILQGPLGGSGEINRGKGIDQVLAK
YPDIKVLAKDTANWKRDEAVNKMKNWISSFGPQIDGVVAQNDDMGLGALQ
ALKEAGRTGVPIVGIDGIEDGLNAVKSGDFIGTSLQNGTVELSAGLAVAD
ALVKGEDVKTDPVYVMPAITKDNVDVAIEHVVTERQKFLDGLVELTQQNL
KTGDIAYEGIPGQTQ

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

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

Formula

Name

ZINC ION

PDB chain

4rs3 Chain A Residue 405 [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	4rs3 A General Strategy for the Discovery of Metabolic Pathways: d-Threitol, l-Threitol, and Erythritol Utilization in Mycobacterium smegmatis.
Resolution	1.4 Å
Binding residue (original residue number in PDB)	E50 E252
Binding residue (residue number reindexed from 1)	E17 E219
Annotation score	4

Enzymatic activity

Enzyme Commision number

3.6.3.17: Transferred entry: 7.5.2.8.

Gene Ontology

	Molecular Function
GO:0030246	carbohydrate binding

	Biological Process
GO:0008643	carbohydrate transport
GO:0071322	cellular response to carbohydrate stimulus

	Cellular Component
GO:0005886	plasma membrane

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Molecular Function

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Cellular Component

External links

PDB	RCSB:4rs3, PDBe:4rs3, PDBj:4rs3
PDBsum	4rs3
PubMed	26560079
UniProt	A0QYB3\|XYPA_MYCS2 Xylitol-binding protein (Gene Name=xypA)

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