Structure of PDB 4p31 Chain A Binding Site BS02

Receptor Information

>4p31 Chain A (length=234) Species: 83333 (Escherichia coli K-12)

ATLTAKNLAKAYKGRRVVEDVSLTVNSGEIVGLLGPNGAGKTTTFYMVVG
IVPRDAGNIIIDDDDISLLPLHARARRGIGYLPQEASIFRRLSVYDNLMA
VLQIRDDLSAEQREDRANELMEEFHIEHLRDSMGQSLSGGERRRVEIARA
LAANPKFILLDEPFAGVDPISVIDIKRIIEHLRDSGLGVLITDHNVRETL
AVCERAYIVSQGHLIAHGTPTEILQDEHVKRVYL

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 4p31 Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4p31 Decoupling catalytic activity from biological function of the ATPase that powers lipopolysaccharide transport.
• Resolution: 2.05 Å
• Binding residue (original residue number in PDB): T43 Q85
• Binding residue (residue number reindexed from 1): T42 Q84
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 7.5.2.-

Gene Ontology

Molecular Function

• GO:0005515 protein binding
• GO:0005524 ATP binding
• GO:0016887 ATP hydrolysis activity

Biological Process

• GO:0015920 lipopolysaccharide transport
• GO:0043165 Gram-negative-bacterium-type cell outer membrane assembly
• GO:0055085 transmembrane transport

Cellular Component

• GO:0005737 cytoplasm
• GO:0005886 plasma membrane
• GO:0016020 membrane
• GO:0043190 ATP-binding cassette (ABC) transporter complex
• GO:1990351 transporter complex

External links

• PDB: RCSB:4p31, PDBe:4p31, PDBj:4p31
• PDBsum: 4p31
• PubMed: 24639492
• UniProt: P0A9V1|LPTB_ECOLI Lipopolysaccharide export system ATP-binding protein LptB (Gene Name=lptB)