Structure of PDB 5ojv Chain A Binding Site BS01

Receptor Information
>5ojv Chain A (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
LMRWHRWLAECRDRNERGRITLYHGWESGMDNSPRWDSAYANVVPGKLPE
YQRADNVIITDPSQRPSDGEYDRYLWLLEEMKAVRYDDERLPSVMSFQVE
DVFFSAIFSVACQVLAEIGEDYKRPHADVKDLYLWAERFRAGVVETTDQR
TGAARDFDVLAEKWLVTETAAQFAPLLCGGLPHDRERALLKLLEGPRFCG
HPDLKYGLIPSTSPVSRDFRPREYWRGPVWPVLTWLFSWCFARRGWAERA
RLLRQEGLRQASDGSFAAYYEPFTGEPLGSMQQSWTAAAVLDWLG
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 chain5ojv Chain A 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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PDB5ojv The structural characterization of a glucosylglycerate hydrolase provides insights into the molecular mechanism of mycobacterial recovery from nitrogen starvation.
Resolution2.062 Å
Binding residue
(original residue number in PDB)		Y36 W40 W42 D43 H78 Y88 Q115 G180 D182 Y375
Binding residue
(residue number reindexed from 1)		Y35 W39 W41 D42 H77 Y87 Q114 G179 D181 Y374
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
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Biological Process
External links
PDB RCSB:5ojv, PDBe:5ojv, PDBj:5ojv
PDBsum5ojv
PubMed31316802
UniProtK5BDL0|GGH_MYCHD Glucosylglycerate hydrolase (Gene Name=ggh)

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