Structure of PDB 1j1n Chain B Binding Site BS01

Receptor Information

>1j1n Chain B (length=492) Species: 90322 (Sphingomonas sp. A1)

KEATWVTDKPLTLKIHMHFRDKWVWDENWPVAKESFRLTNVKLQSVANKA
ATNSQEQFNLMMASGDLPDVVGGDNLKDKFIQYGQEGAFVPLNKLIDQYA
PHIKAFFKSHPEVERAIKAPDGNIYFIPYVPDGVVARGYFIREDWLKKLN
LKPPQNIDELYTVLKAFKEKDPNGNGKADEVPFIDRHPDEVFRLVNFWGA
RSSGSDNYMDFYIDNGRVKHPWAETAFRDGMKHVAQWYKEGLIDKEIFTR
KAKAREQMFGGNLGGFTHDWFASTMTFNEGLAKTVPGFKLIPIAPPTNSK
GQRWEEDSRQKVRPDGWAITVKNKNPVETIKFFDFYFSRPGRDISNFGVP
GVTYDIKNGKAVFKDSVLKSPQPVNNQLYDMGAQIPIGFWQDYDYERQWT
TPEAQAGIDMYVKGKYVMPGFEGVNMTREERAIYDKYWADVRTYMYEMGQ
AWVMGTKDVDKTWDEYQRQLKLRGLYQVLQMMQQAYDRQYKN

Ligand information

• Ligand ID: MAV
• 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-BYHBOUFCSA-N
• SMILES:
  OpenEye OEToolkits 1.7.0: [C@@H]1([C@@H]([C@H](O[C@@H]([C@H]1O)O)C(=O)O)O)O
  OpenEye OEToolkits 1.7.0: C1(C(C(OC(C1O)O)C(=O)O)O)O
  CACTVS 3.370: O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
  CACTVS 3.370: O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O
  ACDLabs 12.01: O=C(O)C1OC(O)C(O)C(O)C1O
• Formula: C6 H10 O7
• Name: alpha-D-mannopyranuronic acid;
  alpha-D-mannuronic acid;
  D-mannuronic acid;
  mannuronic acid
• DrugBank: DB01982
• PDB chain: 1j1n Chain D Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1j1n Crystal structure of AlgQ2, a macromolecule (alginate)-binding protein of Sphingomonas sp. A1, complexed with an alginate tetrasaccharide at 1.6-A resolution
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): R20 D21 N75
• Binding residue (residue number reindexed from 1): R20 D21 N75
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

Cellular Component

• GO:0042597 periplasmic space

External links

• PDB: RCSB:1j1n, PDBe:1j1n, PDBj:1j1n
• PDBsum: 1j1n
• PubMed: 12486124
• UniProt: Q9KWT5