Structure of PDB 4zow Chain A Binding Site BS01

Receptor Information
>4zow Chain A (length=391) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLGRQALLFPLCLVLYEFSTYIGNDMIQPGMLAVVEQYQAGIDWVPTSMT
AYLAGGMFLQWLLGPLSDRIGRRPVMLAGVVWFIVTCLAILLAQNIEQFT
LLRFLQGISLCFIGAVGYAAIRESFEEAVCIKITALMANVALIAPLLGPL
VGAAWIHVLPWEGMFVLFAALAAISFFGLQRAMPETATRIGEKLSLKELG
RDYKLVLKNGRFVAGALALGFVSLPLLAWIAQSPIIIITGEQLSSYEYGL
LQVPIFGALIAGNLLLARLTSRRTVRSLIIMGGWPIMIGLLVAAAATVIS
SHAYLWMTAGLSIYAFGIGLANAGLVRLTLFASDMSKGTVSAAMGMLQML
IFTVGIEISKHAWLNGGNGLFNLFNLVNGILWLSLMVIFLK
Ligand information
Ligand IDCLM
InChIInChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1
InChIKeyWIIZWVCIJKGZOK-RKDXNWHRSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
CACTVS 3.341OC[CH](NC(=O)C(Cl)Cl)[CH](O)c1ccc(cc1)[N+]([O-])=O
OpenEye OEToolkits 1.5.0c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
CACTVS 3.341OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+]([O-])=O
ACDLabs 10.04ClC(Cl)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)CO
FormulaC11 H12 Cl2 N2 O5
NameCHLORAMPHENICOL
ChEMBLCHEMBL130
DrugBankDB00446
ZINCZINC000000113382
PDB chain4zow Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zow Substrate-bound structure of the E. coli multidrug resistance transporter MdfA
Resolution2.45 Å
Binding residue
(original residue number in PDB)		Y30 N33 D34 L119 A150
Binding residue
(residue number reindexed from 1)		Y21 N24 D25 L110 A141
Annotation score1
Binding affinityMOAD: Kd=75uM
PDBbind-CN: -logKd/Ki=4.12,Kd=75uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015385 sodium:proton antiporter activity
GO:0015386 potassium:proton antiporter activity
GO:0022857 transmembrane transporter activity
Biological Process
GO:0030641 regulation of cellular pH
GO:0035725 sodium ion transmembrane transport
GO:0046677 response to antibiotic
GO:0055085 transmembrane transport
GO:0071805 potassium ion transmembrane transport
GO:1902600 proton transmembrane transport
GO:1990961 xenobiotic detoxification by transmembrane export across the plasma membrane
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:4zow, PDBe:4zow, PDBj:4zow
PDBsum4zow
PubMed26238402
UniProtP0AEY8|MDFA_ECOLI Multidrug transporter MdfA (Gene Name=mdfA)

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