Structure of PDB 6zn1 Chain AAA Binding Site BS01

Receptor Information

>6zn1 Chain AAA (length=400) Species: 184117 (Thermoproteus uzoniensis)

MIERYVEFVGEHEIDAIFKYAEKLKDLSILHVNSTAAGGGVAEILHRLVP
LMRELGLNAEWKVIRGSQDFFTVTKSFHNALQTGKGEIPDEYFKIYDEWQ
EINAGEIPLDYDVVFIHDPQPAGLVKYRKKGTWIWRCHIDISNPHPKVWG
FLRGYISKYDGMIVSIPEFARDDLDIPQIAIPPSIDPLSPKNMPLPQTTV
DRIVDKFGVDRERPIILQVSRYDRAKDPVGVIESFRLAKRHVPDAQLVYL
GSPATDDPEGEVVYRETVEAARGEKDVHLLMLPPNSHVEVNAFQRAATVV
MQKSIKEGFGLTVSEALWKRKPVIGGNTGGIRIQVINGVTGFLVDSPKAA
AYYLVYLLKNKKVREEMGEAGRDHVRRNFLITQQLRRYLMAILYLTKRHA

Ligand information

• Ligand ID: GLC
• 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-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-glucopyranose;
  alpha-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL423707
• ZINC: ZINC000003861213
• PDB chain: 6zn1 Chain AAA Residue 708

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6zn1 Anomeric Selectivity of Trehalose Transferase with Rare l-Sugars.
• Resolution: 1.75 Å
• Binding residue (original residue number in PDB): H138 E307 G308 F309 G310
• Binding residue (residue number reindexed from 1): H138 E307 G308 F309 G310
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0016757 glycosyltransferase activity

Biological Process

• GO:0006006 glucose metabolic process

External links

• PDB: RCSB:6zn1, PDBe:6zn1, PDBj:6zn1
• PDBsum: 6zn1
• PubMed: 32953231
• UniProt: F2L613