Structure of PDB 6gt9 Chain D Binding Site BS01

Receptor Information

>6gt9 Chain D (length=283) Species: 1422 (Geobacillus stearothermophilus)

ETTKEAYHFVLVPEELDNDYWRLVEKGAKAAAKELGVDLEYIGPRQANID
EHLRILKKAAAAKVDGIITQGLTEAEFVPVINEITDKNIPVVTIDTDAPT
SRRVAYVGTDNYYAGFLAGRALAEDTKGKATVAIITGSLTAAHQQLRVRG
FEDAVRQEKGIRIVAIEESHITRVQAAEKAYTILKKHPDVNAFYGTSALD
AIGVAKVVEQFHREQKTYIIGFDTLPETIRYLQKGTIAATVVQEPYEMGY
KAVKMMAEIVAGKDVPVVTNTETKVIRKKDLPL

Ligand information

• Ligand ID: GAL
• 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-FPRJBGLDSA-N
• SMILES:
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
  OpenEye OEToolkits 1.7.2: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
  OpenEye OEToolkits 1.7.2: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
• Formula: C6 H12 O6
• Name: beta-D-galactopyranose;
  beta-D-galactose;
  D-galactose;
  galactose
• ChEMBL: CHEMBL300520
• ZINC: ZINC000002597049
• PDB chain: 6gt9 Chain D Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6gt9 The crystal structure of GanP, a glucose-galactose binding protein from Geobacillus stearothermophilus, in complex with galactose
• Resolution: 1.894 Å
• Binding residue (original residue number in PDB): E57 N61 Y63 W64 D138 H186 R190 I214 S240 A241 D266 Q286
• Binding residue (residue number reindexed from 1): E14 N18 Y20 W21 D95 H143 R147 I171 S197 A198 D223 Q243
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding

External links

• PDB: RCSB:6gt9, PDBe:6gt9, PDBj:6gt9
• PDBsum: 6gt9
• UniProt: W8QN64