Structure of PDB 5x9r Chain A Binding Site BS02

Receptor Information
>5x9r Chain A (length=416) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FKIFGMPLPLYAFALITLLLSHFYNALPTDIVGGFAIMFIIGAIFGEIGK
RLPIFNKYIGGAPVMIFLVAAYFVYAGIFTQKEIDAISNVMDKSNFLNLF
IAVLITGAILSVNRRLLLKSLLGYIPTILMGIVGASIFGIAIGLVFGIPV
DRIMMLYVLPIMGGGNGAGAVPLSEIYHSVTGRSREEYYSTAIAILTIAN
IFAIVFAAVLDIIGKKHTWLSGEGELVREKTGQITHRETAVGLVLSTTCF
LLAYVVAKKILPSIGGVAIHYFAWMVLIVAALNASGLCSPEIKAGAKRLS
DFFSKQLLWVLMVGVGVCYTDLQEIINAITFANVVIAAIIVIGAVLGAAI
GGWLMGFFPIESAITAGLCMANRGGSGDLEVLSACNRMNLISYAQISSRL
GGGIVLVIASIVFGMM
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain5x9r Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5x9r Structural insights into the elevator-like mechanism of the sodium/citrate symporter CitS
Resolution3.98 Å
Binding residue
(original residue number in PDB)		A128 V132 E245 N418 Y422
Binding residue
(residue number reindexed from 1)		A108 V112 E225 N389 Y393
Annotation score1
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5x9r, PDBe:5x9r, PDBj:5x9r
PDBsum5x9r
PubMed28566738
UniProtP31602|CITN_KLEPN Citrate/sodium symporter (Gene Name=citS)

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