Structure of PDB 7nwf Chain A Binding Site BS04

Receptor Information
>7nwf Chain A (length=432) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENNAYLRDGKSNLVSKVVELHGETYATTVKMGLSKTPNTATSAKVKIDAA
YLETYNKAHNTDFALYPQDLVTFANEGILTVNANTKSAEVEMTIRAGEGL
QEDKTYAIPVAISDQSSDITIKDEDAKHCIYLVKDMRNAGDAYKGEGVMQ
GYLFFEVNDVNPLNTLSFQLENGKLLWDVVVLFAANINYDAEAGRPRVQC
NPNVQYLLDNNETLLQPLRRRGVKVLLGLLGNHDITGLAQLSEQGAKDFA
REVAQYCKAYNLDGVNYDDEYSNSPDLSNPSLTNPSTAAAARLCYETKQA
MPDKLVTVFDWGQMYGVATVDGVDAKEWIDIVVANYGSAAYPIGQMTKKQ
CSGISMEFNLGGGGSLSASKAQSMIDGGYGWFMGFAPSPAKYGSVFSRLQ
GGGEVLYGSNVAAPTIFYKKNDPTPYKYPDDL
Ligand information
Ligand IDMAN
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-PQMKYFCFSA-N
SMILES
SoftwareSMILES
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
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]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
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain7nwf Chain B Residue 7 [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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PDB7nwf GH18 endo-beta-N-acetylglucosaminidases use distinct mechanisms to process hybrid-type N-linked glycans.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E200 N202 A228 N230 N245
Binding residue
(residue number reindexed from 1)		E156 N158 A184 N186 N201
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7nwf, PDBe:7nwf, PDBj:7nwf
PDBsum7nwf
PubMed34324829
UniProtQ8A0N4

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