Structure of PDB 6dtq Chain C Binding Site BS02

Receptor Information

>6dtq Chain C (length=391) Species: 243274 (Thermotoga maritima MSB8)

AVKITMTSGGVGKELEVLKKQLEMFHQQYPDIEVEIIPMPDSSTERHDLY
VTYFAAGETDPDVLMLDVIWPAEFAPFLEDLTADKDYFELGEFLPGTVMS
VTVNGRIVAVPWFTDAGLLYYRKDLLEKYGYDHAPRTWDELVEMAKKISQ
AEGIHGFVWQGARYEGLVCDFLEYLWSFGGDVLDESGKVVIDSPEAVAAL
QFMVDLIYKHKVTPEGVTTYMEEDARRIFQNGEAVFMRNWPYAWSLVNSD
ESPIKGKVGVAPLPMGPGGRRAATLGGWVLGINKFSSPEEKEAAKKLIKF
LTSYDQQLYKAINAGQNPTRKAVYKDPKLKEAAPFMVELLGVFINALPRP
RVANYTEVSDVIQRYVHAALTRQTTSEDAIKNIAKELKFLL

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: 6dtq Chain G Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6dtq Differential Substrate Recognition by Maltose Binding Proteins Influenced by Structure and Dynamics.
• Resolution: 2.15 Å
• Binding residue (original residue number in PDB): D85 D133 G184 E240 W258 G295 W296 R367
• Binding residue (residue number reindexed from 1): D67 D115 G166 E222 W240 G277 W278 R349
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

External links

• PDB: RCSB:6dtq, PDBe:6dtq, PDBj:6dtq
• PDBsum: 6dtq
• PubMed: 30204415
• UniProt: G4FGN8