Structure of PDB 5xas Chain B Binding Site BS02

Receptor Information
>5xas Chain B (length=407) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDLLGFKIFGMPLPLYAFALITLLLSHFYNALPTDIVGGFAIMFIIGAIF
GEIGKRLPIFNKYIGGAPVMIFLVAAYFVYAGIFTQKEIDAISNVMDKSN
FLNLFIAVLITGAILSVNRRLLLKSLLGYIPTILMGIVGASIFGIAIGLV
FGIPVDRIMMLYVLPIMGGGNGAGAVPLSEIYHSVTGRSREEYYSTAIAI
LTIANIFAIVFAAVLDIIGKKHTITHRETAVGLVLSTTCFLLAYVVAKKI
LPSIGGVAIHYFAWMVLIVAALNASGLCSPEIKAGAKRLSDFFSKQLLWV
LMVGVGVCYTDLQEIINAITFANVVIAAIIVIGAVLGAAIGGWLMGFFPI
ESAITAGLCMANRGGSGDLEVLSACNRMNLISYAQISSRLGGGIVLVIAS
IVFGMMI
Ligand information
Ligand IDFLC
InChIInChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
InChIKeyKRKNYBCHXYNGOX-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
ACDLabs 10.04O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-]
FormulaC6 H5 O7
NameCITRATE ANION
ChEMBL
DrugBank
ZINC
PDB chain5xas Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5xas Structural insights into the elevator-like mechanism of the sodium/citrate symporter CitS
Resolution3.47 Å
Binding residue
(original residue number in PDB)		L337 G404 S405
Binding residue
(residue number reindexed from 1)		L298 G365 S366
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:5xas, PDBe:5xas, PDBj:5xas
PDBsum5xas
PubMed28566738
UniProtP31602|CITN_KLEPN Citrate/sodium symporter (Gene Name=citS)

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