Structure of PDB 5zjv Chain A Binding Site BS01

Receptor Information

>5zjv Chain A (length=331) Species: 562 (Escherichia coli)

PKDTIYHAKDAVQATKPDMRKPRLVVFVVGETARADHVSFNGYERDTFPQ
LAKIDGVTNFSNVTSCGTSTAYSVPCMFSYLGADEYDVDTAKYQENVLDT
LDRLGVSILWRDNNSDSKGVMDKLPKAQFADYKSATNNAICNTNPYNECR
DVGMLVGLDDFVAANNGKDMLIMLHQMGNHGPAYFKRYDEKFAKFTPVCE
GNELAKCEHQSLINAYDNALLATDDFIAQSIQWLQTHSNAYDVSMLYVSD
HGESLGENGVYLHGMPNAFAPKEQRSVPAFFWTDKQTGITPMATDTVLTH
DAITPTLLKLFDVTADKVKDRTAFIRLEHHH

Ligand information

• Ligand ID: LXC
• InChI: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m0/s1
• InChIKey: SRBFZHDQGSBBOR-QTBDOELSSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1C(C(C(C(O1)O)O)O)O
  OpenEye OEToolkits 1.5.0: C1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O
  CACTVS 3.341: O[CH]1CO[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: O[C@H]1CO[C@H](O)[C@@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)COC(O)C1O
• Formula: C5 H10 O5
• Name: beta-L-xylopyranose;
  beta-L-xylose;
  L-xylose;
  xylose;
  L-XYLOSE (CYCLIC FORM)
• ZINC: ZINC000001532561
• PDB chain: 5zjv Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5zjv Crystal Structure of the Catalytic Domain of MCR-1 (cMCR-1) in Complex with d-Xylose
• Resolution: 1.82 Å
• Binding residue (original residue number in PDB): G67 T68 S69 Y72 N267
• Binding residue (residue number reindexed from 1): G67 T68 S69 Y72 N267
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.-.-

Gene Ontology

Molecular Function

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

External links

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