Structure of PDB 4kpp Chain B Binding Site BS01

Receptor Information

>4kpp Chain B (length=386) Species: 224325 (Archaeoglobus fulgidus DSM 4304)

DFTKEKFQLLAISSLTLPWLISLAFNYHHPALTQTLLSGLAVVSASFLIS
WAAETAEFSLAIVALLAVLPEYAVDGYFAWKAGSVGGEYVHYATANMTGA
NRLLIGIGWSLVAFIAFRTLKSKEVELDDGIRLEIFFLFLATLYAFTLPL
KGHISPFDALVFVSLYAIYIYLSTKAEREEVGGVPAYLCSLKTETRRLSV
VVLFLFAGFTILMSVEAFSEGLLETARIAGIDEFLAVQWIAPLASESPEL
IVAIYFVRRFRVSASMNALISSKVNQWTLLIGTIAIIYSISAFKLQSLPL
DARQSEEVLLTAAQSLFAVAILLDLKISWKEASALFLLFIVQLLFPGVEV
RYIISAIYIILSLPILFAKRKEIVESFRTVKRLISL

Ligand information

• Ligand ID: GLC
• 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-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-glucopyranose;
  alpha-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL423707
• ZINC: ZINC000003861213
• PDB chain: 4kpp Chain C Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4kpp Structural basis for the counter-transport mechanism of a H+/Ca2+ exchanger.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): L221 M222 S223 E225 A226
• Binding residue (residue number reindexed from 1): L212 M213 S214 E216 A217
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

Biological Process

• GO:0055085 transmembrane transport

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:4kpp, PDBe:4kpp, PDBj:4kpp
• PDBsum: 4kpp
• PubMed: 23704374
• UniProt: O29988