Structure of PDB 4rk9 Chain B Binding Site BS01

Receptor Information

>4rk9 Chain B (length=384) Species: 279010 (Bacillus licheniformis DSM 13 = ATCC 14580)

VTLTMFSTMTNDSEKNTLRSIADDFEKENEGIKIDISFPGPDYENMLRVK
MAANDMPDLFDTHGWAKIRYGEYTADLKDMDWVKHLDPNLDPILKDEKGK
VYAYPFNQAKDGIVYNAGLLKKYGLKPPQTLDELMHALETIKEKSNGSVI
PFWFAGSDKGALAQFYDQLATPLLITDDRRNEKKALENGTFDWSDYTLLA
ETFKEMQEKQLINKDILTAKPSQLVELMAQEKIGFTLSVTSIGPDTREVN
PDIQLGVMPTPAVYEGDKPSWIGGERHTVAVWKDSEHLEEAKRFIEFAAQ
PKYVKKIAEATSFPQALTNTEAENYYSKFYDQYEEIKIEPYFDRVYLPSG
MWDVMGTTGQELLAGTLTPKQVSEKMKQEYSRLQ

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: 4rk9 Chain D Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4rk9 CRYSTAL STRUCTURE OF SUGAR TRANSPORTER BL01359 FROM Bacillus licheniformis, TARGET EFI-510856
• Resolution: 2.15 Å
• Binding residue (original residue number in PDB): T39 M40 T41 N42 E45 V270 T271 H308
• Binding residue (residue number reindexed from 1): T8 M9 T10 N11 E14 V239 T240 H277
• Annotation score: 4

Gene Ontology

Biological Process

• GO:0055085 transmembrane transport

External links

• PDB: RCSB:4rk9, PDBe:4rk9, PDBj:4rk9
• PDBsum: 4rk9
• UniProt: Q65LL6