Structure of PDB 5aye Chain D Binding Site BS01

Receptor Information
>5aye Chain D (length=335) Species: 697329 (Ruminococcus albus 7 = DSM 20455) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKTQIINGVSLPNIPWQDKPADCKDVIWRYDANPIIPRDQLPTSNSIFNS
AVVPYESEKGKFAGVFRVDDKCRNMELHAGFSKDGIHWDINPDRIVFEQA
EKSTEEVNQWGYGYDPRVCFIEDRFWVTWCNAYGWKPTIGVAYTFDFKTF
YQCENAFLPFNRNGVLFPRKINGKYVMFSRPSDSGHTPFGDMFISQSPDM
KYWGEHRHVMGPLRAWESKKIGAGPIPIETSEGWLCFYHGVLESCNGFVY
SFSACILDKDEPWKVKYRCAEYLLSPQKIYECVGDVQNVTFPCATLVDAD
TGRIAIYYGCADTCVSMAFTTVDDVVDYVKSHSSV
Ligand information
Ligand IDBMA
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-RWOPYEJCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-mannopyranose;
beta-D-mannose;
D-mannose;
mannose
ChEMBL
DrugBank
ZINCZINC000003830679
PDB chain5aye Chain J Residue 1 [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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PDB5aye Structural insights into the difference in substrate recognition of two mannoside phosphorylases from two GH130 subfamilies.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		R67 Y114 R162 H186
Binding residue
(residue number reindexed from 1)		R67 Y114 R162 H186
Annotation score2
Enzymatic activity
Enzyme Commision number 2.4.1.319: beta-1,4-mannooligosaccharide phosphorylase.
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
Biological Process
GO:0071555 cell wall organization

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5aye, PDBe:5aye, PDBj:5aye
PDBsum5aye
PubMed26913570
UniProtE6UBR9|MOSP_RUMA7 Beta-1,4-mannooligosaccharide phosphorylase (Gene Name=Rumal_0099)

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