Structure of PDB 5n6u Chain D Binding Site BS01

Receptor Information
>5n6u Chain D (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 D 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)		W164 W486 H490 W599
Binding residue
(residue number reindexed from 1)		W164 W486 H490 W599
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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