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Receptor Information

>7kr6 Chain AAA (length=236) Species: 28116 (Bacteroides ovatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ILFKDDFNFFDEKVWTKETHEPGWTNQELQAYDAAHVSVGKDGDKSVLIL
TAERKGNKIYSGRINSKGKKSFKYRKIEASIKLPKTNGGLWPAFWMMGDN
DKQWPACGEIDIMAMGEQSGMAGDSEKQVNTAIHYGPSAAAHEQQYYKAN
VANSLQDGNYHTYSLDWDENNLTISIDNVKFHTFDISSNTYFHDNFYILF
NLAVGGAFTGITDINKLTGLKDGQKVNMYIDWVKIL

Ligand ID

G2F

InChI

InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6+/m1/s1

InChIKey

ZCXUVYAZINUVJD-UKFBFLRUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.0	C(C1C(C(C(C(O1)O)F)O)O)O
CACTVS 3.370	OC[CH]1O[CH](O)[CH](F)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.0	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O
CACTVS 3.370	OC[C@H]1O[C@H](O)[C@H](F)[C@@H](O)[C@@H]1O
ACDLabs 12.01	FC1C(O)C(O)C(OC1O)CO

Formula

C6 H11 F O5

Name

2-deoxy-2-fluoro-alpha-D-glucopyranose;
2-deoxy-2-fluoro-alpha-D-glucose;
2-deoxy-2-fluoro-D-glucose;
2-deoxy-2-fluoro-glucose

PDB chain

7kr6 Chain AaA 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	7kr6 Orthogonal Active-Site Labels for Mixed-Linkage endo-beta-Glucanases.
Resolution	1.56 Å
Binding residue (original residue number in PDB)	N60 W125 A127 W129 W138 E143 H169
Binding residue (residue number reindexed from 1)	N26 W91 A93 W95 W104 E109 H134
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0004553	hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016787	hydrolase activity

	Biological Process
GO:0005975	carbohydrate metabolic process

PDB	RCSB:7kr6, PDBe:7kr6, PDBj:7kr6
PDBsum	7kr6
PubMed	33988963
UniProt	A0A1Y4PXW9

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Structure of PDB 7kr6 Chain AAA Binding Site BS01