Structure of PDB 4tqu Chain Q Binding Site BS01

Receptor Information

>4tqu Chain Q (length=492) Species: 28214 (Sphingomonas sp.)

KEATWVTDKPLTLKIHMHFRDKWVWDENWPVAKESFRLTNVKLQSVANKA
ATNSQEQFNLMMASGDLPDVVGGDNLKDKFIQYGQEGAFVPLNKLIDQYA
PHIKAFFKSHPEVERAIKAPDGNIYFIPYVPDGVVARGYFIREDWLKKLN
LKPPQNIDELYTVLKAFKEKDPNGNGKADEVPFIDRHPDEVFRLVNFWGA
RSSGSDNYMDFYIDNGRVKHPWAETAFRDGMKHVAQWYKEGLIDKEIFTR
KARAREQMFGGNLGGFTHDWFASTMTFNEGLAKTVPGFKLIPIAPPTNSK
GQRWEEDSRQKVRPDGWAITVKNKNPVETIKFFDFYFSRPGRDISNFGVP
GVTYDIKNGKAVFKDSVLKSPQPVNNQLYDMGAQIPIGFWQDYDYERQWT
TPEAQAGIDMYVKGKYVMPGFEGVNMTREERAIYDKYWADVRTYMYEMGQ
AWVMGTKDVDKTWDEYQRQLKLRGLYQVLQMMQQAYDRQYKN

Ligand information

• Ligand ID: BEM
• InChI: InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3-,4-,6+/m0/s1
• InChIKey: AEMOLEFTQBMNLQ-SYJWYVCOSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: [C@@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O)C(=O)O)O)O
  OpenEye OEToolkits 1.5.0: C1(C(C(OC(C1O)O)C(=O)O)O)O
  CACTVS 3.341: O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
  ACDLabs 10.04: O=C(O)C1OC(O)C(O)C(O)C1O
  CACTVS 3.341: O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O
• Formula: C6 H10 O7
• Name: beta-D-mannopyranuronic acid;
  beta-D-mannuronic acid;
  D-mannuronic acid;
  mannuronic acid;
  (2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
• ZINC: ZINC000004095780
• PDB chain: 4tqu Chain A Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4tqu Structure of a Bacterial ABC Transporter Involved in the Import of an Acidic Polysaccharide Alginate
• Resolution: 3.204 Å
• Binding residue (original residue number in PDB): R20 D21 D74
• Binding residue (residue number reindexed from 1): R20 D21 D74
• Annotation score: 4

External links

• PDB: RCSB:4tqu, PDBe:4tqu, PDBj:4tqu
• PDBsum: 4tqu
• PubMed: 26235029
• UniProt: Q9KWT5