Structure of PDB 6guq Chain A Binding Site BS01

Receptor Information

>6guq Chain A (length=278) Species: 1422 (Geobacillus stearothermophilus)

AYHFVLVPEELDNDYWRLVEKGAKAAAKELGVDLEYIGPRQANIDEHLRI
LKKAAAAKVDGIITQGLTEAEFVPVINEITDKNIPVVTIDTDAPTSRRVA
YVGTDNYYAGFLAGRALAEDTKGKATVAIITGSLTAAHQQLRVRGFEDAV
RQEKGIRIVAIEESHITRVQAAEKAYTILKKHPDVNAFYGTSALDAIGVA
KVVEQFHREQKTYIIGFDTLPETIRYLQKGTIAATVVQEPYEMGYKAVKM
MAEIVAGKDVPVVTNTETKVIRKKDLPL

Ligand information

• Ligand ID: BGC
• 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-VFUOTHLCSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.7.6: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: beta-D-glucopyranose;
  beta-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL1614854
• DrugBank: DB02379
• ZINC: ZINC000003833800
• PDB chain: 6guq Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6guq The crystal structure of GanP, a glucose-galactose binding protein from Geobacillus stearothermophilus, in complex with glucose
• Resolution: 2.385 Å
• Binding residue (original residue number in PDB): E57 N61 Y63 D138 H186 R190 I214 S240 A241 D266 Q286
• Binding residue (residue number reindexed from 1): E9 N13 Y15 D90 H138 R142 I166 S192 A193 D218 Q238
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding

External links

• PDB: RCSB:6guq, PDBe:6guq, PDBj:6guq
• PDBsum: 6guq
• UniProt: W8QN64