Structure of PDB 3pgs Chain A Binding Site BS01

Receptor Information

>3pgs Chain A (length=427) Species: 83333 (Escherichia coli K-12)

AGGQLNEFSSSGLGRAYSGEGAIADDAGNVSRNPALITMFDRPTFSAGAV
YIDPDVNISGTSPSGRSLKADNIAPTAWVPNMHFVAPINDQFGWGASITS
NYGLATEFNDTYAGGSVGGTTDLETMNLNLSGAYRLNNAWSFGLGFNAVY
ARAKIERFAGDLGQLVAGQIMQSPAGQTQQGQALAATANGIDSNTKIAHL
NGNQWGFGWNAGILYELDKNNRYALTYRSEVKIDFKGNYSSDLNRAFNNY
GLPIPTATGGATQSGYLTLNLPEMWEVSGYNRVDPQWAIHYSLAYTSWSQ
FQQLKATSTSGDTLFQKHEGFKDAYRIALGTTYYYDDNWTFRTGIAFDDS
PVPAQNRSISIPDQDRFWLSAGTTYAFNKDASVDVGVSYMHGQSVKINEG
PYQFESEGKAWLFGTNFNYAFHHHHHH

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: 3pgs Chain A Residue 428

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3pgs From the Cover: Ligand-gated diffusion across the bacterial outer membrane.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): H423 H425
• Binding residue (residue number reindexed from 1): H423 H425
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0015483 long-chain fatty acid transporting porin activity
• GO:0022834 ligand-gated channel activity

Biological Process

• GO:0006869 lipid transport
• GO:0015909 long-chain fatty acid transport
• GO:0055085 transmembrane transport

Cellular Component

• GO:0009279 cell outer membrane

External links

• PDB: RCSB:3pgs, PDBe:3pgs, PDBj:3pgs
• PDBsum: 3pgs
• PubMed: 21593406
• UniProt: P10384|FADL_ECOLI Long-chain fatty acid transport protein (Gene Name=fadL)