Structure of PDB 5oj4 Chain B Binding Site BS01

Receptor Information
>5oj4 Chain B (length=445) Species: 1122247 (Mycolicibacterium hassiacum DSM 44199) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PHDPSFTPTQLAARAAYLLRGNDLGTMTTAAPLLYPHMWSWDAAFVAIGL
APLSVERAVVELDTLLSAQWRNGMIPHIVFANGVDGYFPGPARWATATLA
DNAPRNRLTSGITQPPVHAIAVQRILEHARTRGRSTRAVAEAFLDRRWGD
LMRWHRWLAECRDRNERGRITLYHGWESGMANSPRWDSAYANVVPGKLPE
YQRADNVIITDPSQRPSDGEYDRYLWLLEEMKAVRYDDERLPSVMSFQVE
DVFFSAIFSVACQVLAEIGEDYKRPHADVKDLYLWAERFRAGVVETTDQR
TGAARDFDVLAEKWLVTETAAQFAPLLCGGLPHDRERALLKLLEGPRFCG
HPDLKYGLIPSTSPVSRDFRPREYWRGPVWPVLTWLFSWCFARRGWAERA
RLLRQEGLRQASDGSFAEYYEPFTGEPLGSMQQSWTAAAVLDWLG
Ligand information
Ligand ID2M8
InChIInChI=1S/C9H16O9/c10-1-3-5(12)6(13)7(14)9(17-3)18-4(2-11)8(15)16/h3-7,9-14H,1-2H2,(H,15,16)/t3-,4-,5-,6+,7+,9-/m1/s1
InChIKeyDDXCFDOPXBPUJC-SAYMMRJXSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@H](O[C@H](CO)C(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.2C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O
ACDLabs 12.01O=C(O)C(OC1OC(C(O)C(O)C1O)CO)CO
CACTVS 3.370OC[CH]1O[CH](O[CH](CO)C(O)=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)OC(CO)C(=O)O)O)O)O)O
FormulaC9 H16 O9
Name(2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid;
2-O-ALPHA-MANNOSYL-D-GLYCERATE;
(2R)-3-hydroxy-2-(alpha-D-mannosyloxy)propanoic acid;
(2R)-3-hydroxy-2-(D-mannosyloxy)propanoic acid;
(2R)-3-hydroxy-2-(mannosyloxy)propanoic acid
ChEMBL
DrugBank
ZINCZINC000004099160
PDB chain5oj4 Chain B Residue 508 [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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PDB5oj4 The structural characterization of a glucosylglycerate hydrolase provides insights into the molecular mechanism of mycobacterial recovery from nitrogen starvation.
Resolution1.79 Å
Binding residue
(original residue number in PDB)		Y36 W40 W42 D43 H78 Y88 W177 G180 Y375 W376 W381 W436
Binding residue
(residue number reindexed from 1)		Y35 W39 W41 D42 H77 Y87 W176 G179 Y374 W375 W380 W435
Annotation score5
Enzymatic activity
Enzyme Commision number 3.2.1.208: glucosylglycerate hydrolase.
Gene Ontology
Molecular Function
GO:0004573 Glc3Man9GlcNAc2 oligosaccharide glucosidase activity
GO:0016787 hydrolase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0102547 glucosylglycerate hydrolase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006487 protein N-linked glycosylation
GO:0009311 oligosaccharide metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5oj4, PDBe:5oj4, PDBj:5oj4
PDBsum5oj4
PubMed31316802
UniProtK5BDL0|GGH_MYCHD Glucosylglycerate hydrolase (Gene Name=ggh)

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