Structure of PDB 4f18 Chain A Binding Site BS01

Receptor Information

>4f18 Chain A (length=375) Species: 216595 (Pseudomonas [fluorescens] SBW25)

MDINGGGATLPQALYQTSGVLTAGFAQYIGVGSGNGKAAFLNNDYTKFQA
GVTNKNVHWAGSDSKLSATELSTYASAKQPTWGKLIQVPSVGTSVAIPFN
KSGSAAVDLSVQELCGVFSGRINTWDGISGSGRTGPIVVVYRSESSGTTE
LFTRFLNAKCNAETGNFAVTTTFGTSFSGGLPAGAVAATGSQGVMTALAA
GDGRITYMSPDFAAPTLAGLDDATKVARVGKNVATNTQGVSPAAANVSAA
IGAVPVPAAADRSNPDAWVPVFGPDNTAGVQPYPTSGYPILGFTNLIFSQ
CYADATQTTQVRDFFTKHYGASNNNDAAITANAFVPLPTAWKATVRASFL
TASNALSIGNTNVCNGIGRPLLEAA

Ligand information

• Ligand ID: 8AR
• InChI: InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)/p-2
• InChIKey: DJHGAFSJWGLOIV-UHFFFAOYSA-L
• SMILES:
  ACDLabs 12.01: [O-][As]([O-])(=O)O
  CACTVS 3.370: O[As]([O-])([O-])=O
  OpenEye OEToolkits 1.7.6: O[As](=O)([O-])[O-]
• Formula: As H O4
• Name: hydrogen arsenate
• PDB chain: 4f18 Chain A Residue 1401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4f18 The molecular basis of phosphate discrimination in arsenate-rich environments.
• Resolution: 0.96 Å
• Binding residue (original residue number in PDB): A1007 T1008 L1009 S1032 D1062 R1141 S1145 G1146 T1147
• Binding residue (residue number reindexed from 1): A8 T9 L10 S33 D63 R142 S146 G147 T148
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0042301 phosphate ion binding

Biological Process

• GO:0006817 phosphate ion transport
• GO:0035435 phosphate ion transmembrane transport

Cellular Component

• GO:0005576 extracellular region
• GO:0043190 ATP-binding cassette (ABC) transporter complex

External links

• PDB: RCSB:4f18, PDBe:4f18, PDBj:4f18
• PDBsum: 4f18
• PubMed: 23034649
• UniProt: C3K8K1