Structure of PDB 5xar Chain D Binding Site BS01

Receptor Information

>5xar Chain D (length=411) Species: 573 (Klebsiella pneumoniae)

KGVSDLLGFKIFGMPLPLYAFALITLLLSHFYNALPTDIVGGFAIMFIIG
AIFGEIGKRLPIFNKYIGGAPVMIFLVAAYFVYAGIFTQKEIDAISNVMD
KSNFLNLFIAVLITGAILSVNRRLLLKSLLGYIPTILMGIVGASIFGIAI
GLVFGIPVDRIMMLYVLPIMGGGNGAGAVPLSEIYHSVTGRSREEYYSTA
IAILTIANIFAIVFAAVLDIIGKKHTWITHRETAVGLVLSTTCFLLAYVV
AKKILPSIGGVAIHYFAWMVLIVAALNASGLCSPEIKAGAKRLSDFFSKQ
LLWVLMVGVGVCYTDLQEIINAITFANVVIAAIIVIGAVLGAAIGGWLMG
FFPIESAITAGLCMANRGGSGDLEVLSACNRMNLISYAQISSRLGGGIVL
VIASIVFGMMI

Ligand information

• Ligand ID: NA
• InChI: InChI=1S/Na/q+1
• InChIKey: FKNQFGJONOIPTF-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Na+]
• Formula: Na
• Name: SODIUM ION
• DrugBank: DB14516
• PDB chain: 5xar Chain D Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5xar Structural insights into the elevator-like mechanism of the sodium/citrate symporter CitS
• Resolution: 3.62 Å
• Binding residue (original residue number in PDB): I181 M182 G183 L216 M399 A400 N401
• Binding residue (residue number reindexed from 1): I169 M170 G171 L204 M364 A365 N366
• Annotation score: 5

Gene Ontology

Molecular Function

• GO:0008514 organic anion transmembrane transporter activity
• GO:0015293 symporter activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006101 citrate metabolic process
• GO:0006814 sodium ion transport
• GO:0015711 organic anion transport
• GO:0055085 transmembrane transport

Cellular Component

• GO:0005886 plasma membrane
• GO:0016020 membrane

External links

• PDB: RCSB:5xar, PDBe:5xar, PDBj:5xar
• PDBsum: 5xar
• PubMed: 28566738
• UniProt: P31602|CITN_KLEPN Citrate/sodium symporter (Gene Name=citS)