Structure of PDB 5k4p Chain A Binding Site BS04

Receptor Information

>5k4p Chain A (length=324) Species: 469008 (Escherichia coli BL21(DE3))

DTIYHAKDAVQATKPDMRKPRLVVFVVGETARADHVSFNGYERDTFPQLA
KIDGVTNFSNVTSCGTSTAYSVPCMFSYLGADEYDVDTAKYQENVLDTLD
RLGVSILWRDNNSDSKGVMDKLPKAQFADYKSATNNAICNTNPYNECRDV
GMLVGLDDFVAANNGKDMLIMLHQMGNHGPAYFKRYDEKFAKFTPVCEGN
ELAKCEHQSLINAYDNALLATDDFIAQSIQWLQTHSNAYDVSMLYVSDHG
ESLGENGVYLHGMPNAFAPKEQRSVPAFFWTDKQTGITPMATDTVLTHDA
ITPTLLKLFDVTADKVKDRTAFIR

Ligand information

• Ligand ID: SOR
• InChI: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1
• InChIKey: FBPFZTCFMRRESA-JGWLITMVSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O
  CACTVS 3.341: OC[CH](O)[CH](O)[CH](O)[CH](O)CO
  ACDLabs 10.04: OC(C(O)CO)C(O)C(O)CO
  CACTVS 3.341: OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
  OpenEye OEToolkits 1.5.0: C(C(C(C(C(CO)O)O)O)O)O
• Formula: C6 H14 O6
• Name: sorbitol;
  D-sorbitol;
  D-glucitol
• ChEMBL: CHEMBL1682
• DrugBank: DB01638
• ZINC: ZINC000018279893
• PDB chain: 5k4p Chain A Residue 611

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5k4p Structure of the catalytic domain of the colistin resistance enzyme MCR-1.
• Resolution: 1.318 Å
• Binding residue (original residue number in PDB): G282 T283 S284 Y287 N482
• Binding residue (residue number reindexed from 1): G65 T66 S67 Y70 N265
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 2.7.-.-

Gene Ontology

Molecular Function

• GO:0016772 transferase activity, transferring phosphorus-containing groups

External links

• PDB: RCSB:5k4p, PDBe:5k4p, PDBj:5k4p
• PDBsum: 5k4p
• PubMed: 27655155
• UniProt: A0A0R6L508|MCR1_ECOLX Probable phosphatidylethanolamine transferase Mcr-1 (Gene Name=mcr1)