Structure of PDB 4xga Chain A Binding Site BS01

Receptor Information

>4xga Chain A (length=347) Species: 83333 (Escherichia coli K-12)

MSPLPTVENQFTPTTAWSTSVGSGIGNFYSNLHPALADNVVYAADRAGLV
KALNADDGKEIWSVSLAEEPALLSGGVTVSGGHVYIGSEKAQVYALNTSD
GTVAWQTKVAGEALSRPVVSDGLVLIHTSNGQLQALNEADGAVKWTVNLD
MPSLSLRGESAPTTAFGAAVVGGDNGRVSAVLMEQGQMIWQQRISIDRLS
DVDTTPVVVNGVVFALAYNGNLTALDLRSGQIMWKRELGSVNDFIVDGNR
IYLVDQNDRVMALTIDGGVTLWTQSDLLHRLLTSPVLYNGNLVVGDSEGY
LHWINVEDGRFVAQQKVDSSGFQTEPVAADGKLLIQAKDGTVYSITR

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 4xga Chain A Residue 400

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4xga Structural basis for the interaction of BamB with the POTRA3-4 domains of BamA.
• Resolution: 2.15 Å
• Binding residue (original residue number in PDB): L194 G196 D212 D246 D248
• Binding residue (residue number reindexed from 1): L156 G158 D174 D201 D203
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0005515 protein binding
• GO:0042802 identical protein binding

Biological Process

• GO:0043165 Gram-negative-bacterium-type cell outer membrane assembly
• GO:0051205 protein insertion into membrane

Cellular Component

• GO:0009279 cell outer membrane
• GO:0016020 membrane
• GO:1990063 Bam protein complex

External links

• PDB: RCSB:4xga, PDBe:4xga, PDBj:4xga
• PDBsum: 4xga
• PubMed: 26894671
• UniProt: P77774|BAMB_ECOLI Outer membrane protein assembly factor BamB (Gene Name=bamB)