Structure of PDB 6i5v Chain A Binding Site BS01

Receptor Information

>6i5v Chain A (length=421) Species: 302911 (Bifidobacterium animalis subsp. lactis)

NKTGITYPEIKLGETGKDIKTTITFMNNRTDMNLDTYPGKNWKSYIEDFN
KMYPNITVKVQTDSNYADSALTRLQANNDSWDIMMIPAVDKSEFSNYFVP
YGETSEMEKVIKLADEKAYDGQTYGIANNGVTAGIVYNKKVFEEAGIKEL
PKTPEEFQADLKLIKEKTKAVPLYTNFVEDWAMGAWDQYIAGNATGDPKF
MNQVLPTTKEPFKKDASAPDTHPYAVYKTLYDAVANGYTEEDYSTTDWES
SKGKMNNGEIATMVLGAWAVPQMKQAGDHPDDIGYMPFPITVDGKQYATI
AGDYSYGINKNISKEKQEASMIFVKWMTEDSGFAKNEGGIPIKADETYET
FSDVELITDAPAKEGQEDLLANVNSDSELGINNGNGKKIQDIVVDAANRT
RTIDQIMDEWNQKWAKAVEDN

Ligand information

• Ligand ID: BMA
• 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-RWOPYEJCSA-N
• SMILES:
  CACTVS 3.341: OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: beta-D-mannopyranose;
  beta-D-mannose;
  D-mannose;
  mannose
• ZINC: ZINC000003830679
• PDB chain: 6i5v Chain B Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6i5v Two binding proteins of the ABC transporter that confers growth of Bifidobacterium animalis subsp. lactis ATCC27673 on beta-mannan possess distinct manno-oligosaccharide-binding profiles.
• Resolution: 2.01 Å
• Binding residue (original residue number in PDB): D66 S99 W283 K287 Q307
• Binding residue (residue number reindexed from 1): D31 S64 W248 K252 Q272
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

External links

• PDB: RCSB:6i5v, PDBe:6i5v, PDBj:6i5v
• PDBsum: 6i5v
• PubMed: 30947380
• UniProt: A0A4V8GZY7