Structure of PDB 3sk2 Chain B Binding Site BS01

Receptor Information
>3sk2 Chain B (length=132) Species: 549 (Pantoea agglomerans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMTDLAGPTITPNLQLVYVSNVERSTDFYRFIFKKEPVFVTPRYVAFP
SSGDALFAIWSGGEEPVAEIPRFSEIGIMLPTGEDVDKLFNEWTKQKSHQ
IIVIKEPYTDVFGRTFLISDPDGHIIRVCPLD
Ligand information
Ligand IDGRI
InChIInChI=1S/C15H10N2O4/c1-21-11-6-5-8(7-18)12-14(11)17-13-9(15(19)20)3-2-4-10(13)16-12/h2-7H,1H3,(H,19,20)
InChIKeyNJJLLHHIAVHAEL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2COc1ccc(c2c1nc3c(cccc3n2)C(=O)O)C=O
ACDLabs 12.01O=C(O)c2c1nc3c(nc1ccc2)c(ccc3OC)C=O
CACTVS 3.370COc1ccc(C=O)c2nc3cccc(C(O)=O)c3nc12
FormulaC15 H10 N2 O4
Name6-formyl-9-methoxyphenazine-1-carboxylic acid
ChEMBL
DrugBank
ZINCZINC000095921318
PDB chain3sk2 Chain A Residue 130 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3sk2 Atomic resolution structure of EhpR: phenazine resistance in Enterobacter agglomerans Eh1087 follows principles of bleomycin / mitomycin C resistance in other bacteria.
Resolution1.01 Å
Binding residue
(original residue number in PDB)		R42 Y43 W57
Binding residue
(residue number reindexed from 1)		R45 Y46 W60
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=3.61,Kd=244uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0042803 protein homodimerization activity
GO:0043177 organic acid binding
Biological Process
GO:0046677 response to antibiotic

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Molecular Function
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Biological Process
External links
PDB RCSB:3sk2, PDBe:3sk2, PDBj:3sk2
PDBsum3sk2
PubMed21849072
UniProtQ8GPH6|EHPR_ENTAG Phenazine antibiotic resistance protein EhpR (Gene Name=ehpR)

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