Structure of PDB 4yfn Chain J Binding Site BS01

Receptor Information
>4yfn Chain J (length=1152) Species: 331111 (Escherichia coli O139:H28 str. E24377A) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EFDAIKIALASPDMIRSWSFGEVKKPETINYRTFKPERDGLFCARIFGPV
KDYECLCGKYKRLKHRGVICEKCGVEVTQTKVRRERMGHIELASPTAHIW
FLKSLPSRIGLLLDMPLRDIERVLYFESYVVIEGGMTNLERQQILTEEQY
LDALEEFGDEFDAKMGAEAIQALLKSMDLEQECEQLREELNETNSETKRK
KLTKRIKLLEAFVQSGNKPEWMILTVLPVLPPDLRPLVPLDGGRFATSDL
NDLYRRVINRNNRLKRLLDLAAPDIIVRNEKRMLQEAVDALLDNGRRGRA
ITGSNKRPLKSLADMIKGKQRQNLLGKRVDYSGRSVITVGPYLRLHQCGL
PKKMALELFKPFIYGKLELRGLATTIKAAKKMVEREEAVVWDILDEVIRE
HPVLLNRAPTLHRLGIQAFEPVLIEGKAIQLHPLVCAAYNADFDGDQMAV
HVPLTLEAQLEARALMMSTNNILSPANGEPIIVPSQDVVLGLYYMTRDCV
NAKGEGMVLTGPKEAERLYRSGLASLHARVKVRITEYEKDANGELVAKTS
LKDTTVGRAILWMIVPKGLPYSIVNQALGKKAISKMLNTCYRILGLKPTV
IFADQIMYTGFAYAARSGASVGIDDMVIPEKKHEIISEAEAEVAEIQEQF
QSGLVTAGERYNKVIDIWAAANDRVSKAMMDNLQTETVINRDGQEEKQVS
FNSIYMMADSGARGSAAQIRQLAGMRGLMAKPDGSIIETPITANFREGLN
VLQYFISTHGARKGLADTALKTANSGYLTRRLVDVAQDLVVTEDDCGTHE
GIMMTPVIEGGDVKEPLRDRVLGRVTAEDVLKPGTADILVPRNTLLHEQW
CDLLEENSVDAVKVRSVVSCDTDFGVCAHCYGRDLARGHIINKGEAIGVI
AAQSIGEPGTQLTGLPRVADLFEARRPKEPAILAEISGIVSFGKETKGKR
RLVITPVDGSDPYEEMIPKWRQLNVFEGERVERGDVISDGPEAPHDILRL
RGVHAVTRYIVNEVQDVYRLQGVKINDKHIEVIVRQMLRKATIVNAGSSD
FLEGEQVEYSRVKIANRELEANGKVGATYSRDLLGITKASLATESFISAA
SFQETTRVLTEAAVAGKRDELRGLKENVIVGRLIPAGTGYAYHQDRMRRR
AA
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4yfn Chain J Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4yfn X-ray Crystal Structures of Escherichia coli RNA Polymerase with Switch Region Binding Inhibitors Enable Rational Design of Squaramides with an Improved Fraction Unbound to Human Plasma Protein.
Resolution3.817 Å
Binding residue
(original residue number in PDB)		D460 D462 D464
Binding residue
(residue number reindexed from 1)		D442 D444 D446
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.6: DNA-directed RNA polymerase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003677 DNA binding
GO:0003899 DNA-directed 5'-3' RNA polymerase activity
GO:0008270 zinc ion binding
GO:0016779 nucleotidyltransferase activity
GO:0034062 5'-3' RNA polymerase activity
GO:0046872 metal ion binding
Biological Process
GO:0006351 DNA-templated transcription
Cellular Component
GO:0000428 DNA-directed RNA polymerase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4yfn, PDBe:4yfn, PDBj:4yfn
PDBsum4yfn
PubMed25798859
UniProtA7ZUK2|RPOC_ECO24 DNA-directed RNA polymerase subunit beta' (Gene Name=rpoC)

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