Structure of PDB 6h0h Chain B Binding Site BS04

Receptor Information

>6h0h Chain B (length=410) Species: 580050 (Bifidobacterium animalis subsp. lactis Bl-04)

NVKEIDVWAWDPSLKQIAADYEKKTGIKVNLKNVGTNTKEYTQLDNAIEA
GSGAPDVAQIEYYALPQYAIKGNLLDITDKTSGYEDFYNPGPWSSVQIDG
KVYALPIDAGPMAFFYNKEIFDKAGVDGEKIKTWDDYYEAAKKIHALGDE
YYITSDSGDAGFFDSMTWLAGGKPFQTTNNGKDVTINLTGDNGVKEFEKF
WQKLLDEKLLDTKTVGWSEDWFKGMQDGTIASLLTGAWMPGNLVNSAPAA
AGKWRVALMPTPNGEKANAENGGSSLAVLKSSPKAQAAYDFIEYVAHGDG
VKTHVETGAFPADKASLEADYFKNATTIKNSDGKEIDYFGGQKYNEVLAQ
ASADVLTGYQFLPFEVKARGVFGDYLGKSYTGNQPLSEGVAAWQKALIDY
GKEQGFTMKE

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: 6h0h Chain B Residue 904

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6h0h Substrate preference of an ABC importer corresponds to selective growth on beta-(1,6)-galactosides inBifidobacterium animalissubsp.lactis.
• Resolution: 1.39 Å
• Binding residue (original residue number in PDB): W63 E114 D161 W291 N295 G325 G326 S327
• Binding residue (residue number reindexed from 1): W10 E61 D108 W238 N242 G272 G273 S274
• Annotation score: 4

Gene Ontology

Biological Process

• GO:0055085 transmembrane transport

External links

• PDB: RCSB:6h0h, PDBe:6h0h, PDBj:6h0h
• PDBsum: 6h0h
• PubMed: 31186348
• UniProt: B8DWA9