Structure of PDB 4d5d Chain A Binding Site BS02

Receptor Information

>4d5d Chain A (length=311) Species: 571 (Klebsiella oxytoca)

FDESFFSFGGHVGTSVEYEDKVTRGFNNTDKKEKTITNEVFNFFYNNPQW
NFMGFYSFKIENREQKEPGYYENEDGIKQLFSLNKGHDLGNGWATGLIYE
LEYTRSKVYSPDVSGLRKNLAEHSIRPYLTYWNNDYNMGFYSNLEYLLSK
EDRNAWGKRQEQGYSALFKPYKRFGNWEVGVEFYYQIKTNDEKQPDGTIN
EKSDFNERYIEPIVQYSFDDAGTLYTRVRVGKNETKNTDRSGGGNAGINY
FKDIRKATVGYEQSIGESWVAKAEYEYANEVEKKSRLSGWEARNKSELTQ
HTFYAQALYRF

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: 4d5d Chain C Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4d5d Outer-membrane translocation of bulky small molecules by passive diffusion.
• Resolution: 1.902 Å
• Binding residue (original residue number in PDB): E205 N213
• Binding residue (residue number reindexed from 1): E192 N200
• Annotation score: 4

Gene Ontology

Biological Process

• GO:0098657 import into cell

External links

• PDB: RCSB:4d5d, PDBe:4d5d, PDBj:4d5d
• PDBsum: 4d5d
• PubMed: 26015567
• UniProt: Q48391