Structure of PDB 4rk9 Chain B Binding Site BS03

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: GLA
• 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-PHYPRBDBSA-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
  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
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-galactopyranose;
  alpha-D-galactose;
  D-galactose;
  galactose;
  ALPHA D-GALACTOSE
• ChEMBL: CHEMBL1233058
• ZINC: ZINC000000901155
• PDB chain: 4rk9 Chain D Residue 3

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): E75 H94 W96 Q195 D198 R307 Y372 D374 R375 W383
• Binding residue (residue number reindexed from 1): E44 H63 W65 Q164 D167 R276 Y341 D343 R344 W352
• Annotation score: 4

Gene Ontology

Biological Process

• GO:0055085 transmembrane transport

External links

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