Structure of PDB 5xar Chain C Binding Site BS01

Receptor Information
>5xar Chain C (length=413) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LLGFKIFGMPLPLYAFALITLLLSHFYNALPTDIVGGFAIMFIIGAIFGE
IGKRLPIFNKYIGGAPVMIFLVAAYFVYAGIFTQKEIDAISNVMDKSNFL
NLFIAVLITGAILSVNRRLLLKSLLGYIPTILMGIVGASIFGIAIGLVFG
IPVDRIMMLYVLPIMGGGNGAGAVPLSEIYHSVTGRSREEYYSTAIAILT
IANIFAIVFAAVLDIIGKKHTWLSGEGELITHRETAVGLVLSTTCFLLAY
VVAKKILPSIGGVAIHYFAWMVLIVAALNASGLCSPEIKAGAKRLSDFFS
KQLLWVLMVGVGVCYTDLQEIINAITFANVVIAAIIVIGAVLGAAIGGWL
MGFFPIESAITAGLCMANRGGSGDLEVLSACNRMNLISYAQISSRLGGGI
VLVIASIVFGMMI
Ligand information
Ligand IDNA
InChIInChI=1S/Na/q+1
InChIKeyFKNQFGJONOIPTF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Na+]
FormulaNa
NameSODIUM ION
ChEMBL
DrugBankDB14516
ZINC
PDB chain5xar Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5xar Structural insights into the elevator-like mechanism of the sodium/citrate symporter CitS
Resolution3.62 Å
Binding residue
(original residue number in PDB)		I181 M182 G183 G184 L216 M399 A400 N401 R402
Binding residue
(residue number reindexed from 1)		I164 M165 G166 G167 L199 M366 A367 N368 R369
Annotation score5
Enzymatic activity
Enzyme Commision number ?
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5xar, PDBe:5xar, PDBj:5xar
PDBsum5xar
PubMed28566738
UniProtP31602|CITN_KLEPN Citrate/sodium symporter (Gene Name=citS)

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