Structure of PDB 6t8k Chain B Binding Site BS01

Receptor Information

>6t8k Chain B (length=429) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482)

AYLRDGKSNLVSKVVELHGETYATTVKMGLSKTPNTATSAKVKIDAAYLE
TYNKAHNTDFALYPQDLVTFANEGILTVNANTKSAEVEMTIRAGEGLQED
KTYAIPVAISDQSSDITIKDEDAKHCIYLVKDMRNAGDAYKGEGVMQGYL
FFEVNDVNPLNTLSFQLENGKLLWDVVVLFAANINYDAEAGRPRVQCNPN
VQYLLDNNETLLQPLRRRGVKVLLGLLGNHDITGLAQLSEQGAKDFAREV
AQYCKAYNLDGVNYDDEYSNSPDLSNPSLTNPSTAAAARLCYETKQAMPD
KLVTVFDWGQMYGVATVDGVDAKEWIDIVVANYGSAAYPIGQMTKKQCSG
ISMEFNLGGGGSLSASKAQSMIDGGYGWFMGFAPSPAKYGSVFSRLQGGG
EVLYGSNVAAPTIFYKKNDPTPYKYPDDL

Ligand information

• Ligand ID: BMA
• InChI: InChI=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
• InChIKey: WQZGKKKJIJFFOK-RWOPYEJCSA-N
• SMILES:
  CACTVS 3.341: OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: beta-D-mannopyranose;
  beta-D-mannose;
  D-mannose;
  mannose
• ZINC: ZINC000003830679
• PDB chain: 6t8k Chain D Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6t8k Structural basis of mammalian high-mannose N-glycan processing by human gut Bacteroides.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): E200 Y315
• Binding residue (residue number reindexed from 1): E153 Y268
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D312 E314
• Catalytic site (residue number reindexed from 1): D265 E267

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

External links

• PDB: RCSB:6t8k, PDBe:6t8k, PDBj:6t8k
• PDBsum: 6t8k
• PubMed: 32060313
• UniProt: Q8A0N4