Structure of PDB 5n6u Chain B Binding Site BS01

Receptor Information
>5n6u Chain B (length=811) Species: 309799 (Dictyoglomus thermophilum H-6-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEILKLDGEWEFKAVKDKKWRKAKVPGCVHLDLMENGLIPDPFVGENELE
VQWVEKEDWIYRKKFQVGKEFLKYSSIYLEFEGIDTFSEIYLNGKKIGET
DNMFIAWEFNVKDLLVEGENELEVRLFSPSKVLEERAKNYPYKLHGGDYS
PRVFGRKAQYSFGWDWGPRLATSGIWKSVKLKGWNKARLLDVWVPVRSLG
ENAQINIELDIELQESIPVDVAFRISHKKPVLEQRLRFTLPEGRVFLKIP
LTIKNPKLWFPRGYGEQNLYTLQLVLLDEKGEVLDKVEERFGIRKVELFT
QEDNKGESFVFKINNIPVFAKGANWIPADSFLPRIKEEDYRLLLIRAKEA
GVNMLRVWGGGIYENDIFYELCDELGIMVWQDFMFACAEYPDDENFLNDV
QKEAEFVIKRLRNHPSIVLWCGNNCNHWGYYAKWWGEREKFWGEEIYSRV
LPDVCARLDLTRPYWPSSPYGGKDPNSQEVGDRHNWEVWHGWIDFNGYLK
DNGRFISEFGMQAPPVAETIRKFITSEKEYYPQSREMEFHNKAREGTERI
IRYIAGHFKITEDMNEYIYLSQIIQGLALKTGIEHWRNNKFHTSGSLIWQ
WNDCWPVVSWSIIDYYKKLKPSYYFVKRAFRDIKVNIEPRNGKLLVFGVN
DTLEKFYGKIEYAISTFRGKRRGKKEVDIEIPANSSVILGEFNLEDVDKF
KEFFYVQLYNEKDELIDQNEYFFAPFRHLELPNAVVVYSVKEIEENSYLL
NIESDFLALWVSLKLENAEWEDNFVNIYPKTKYSIRFKAPYTLKEVESKL
KLEGYNLKKVI
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 chain5n6u Chain B Residue 901 [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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PDB5n6u Is the acid/base catalytic residue mutation in beta-d-mannosidase DtMan from Dictyoglomus thermophilum sufficient enough to provide thioglycoligase activity?
Resolution3.08 Å
Binding residue
(original residue number in PDB)		D165 H490 E508 W599 W610
Binding residue
(residue number reindexed from 1)		D165 H490 E508 W599 W610
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.25: beta-mannosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004567 beta-mannosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006516 glycoprotein catabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5n6u, PDBe:5n6u, PDBj:5n6u
PDBsum5n6u
PubMed28385558
UniProtB5YAN4

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