Structure of PDB 7khe Chain D Binding Site BS07

Receptor Information
>7khe Chain D (length=1363) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TEEFDAIKIALASPDMIRSWSFGEVKKPETINYRTFKPERDGLFCARIFG
PVKDYECLCGKYKRLKHRGVICEKCGVEVTQTKVRRERMGHIELASPTAH
IWFLKSLPSRIGLLLDMPLRDIERVLYFESYVVIEGGMTNLERQQILTEE
QYLDALEEFGDEFDAKMGAEAIQALLKSMDLEQECEQLREELNETNSETK
RKKLTKRIKLLEAFVQSGNKPEWMILTVLPVLPPDLRPLVPLDGGRFATS
DLNDLYRRVINRNNRLKRLLDLAAPDIIVRNEKRMLQEAVDALLDNGRRG
RAITGSNKRPLKSLADMIKGKQGRFRQNLLGKRVDYSGRSVITVGPYLRL
HQCGLPKKMALELFKPFIYGKLELRGLATTIKAAKKMVEREEAVVWDILD
EVIREHPVLLNRAPTLHRLGIQAFEPVLIEGKAIQLHPLVCAAYNADFDG
DQMAVHVPLTLEAQLEARALMMSTNNILSPANGEPIIVPSQDVVLGLYYM
TRDCVNAKGEGMVLTGPKEAERLYRSGLASLHARVKVRITEYEKDANGEL
VAKTSLKDTTVGRAILWMIVPKGLPYSIVNQALGKKAISKMLNTCYRILG
LKPTVIFADQIMYTGFAYAARSGASVGIDDMVIPEKKHEIISEAEAEVAE
IQEQFQSGLVTAGERYNKVIDIWAAANDRVSKAMMDNLQTETVINRDGQE
EKQVSFNSIYMMADSGARGSAAQIRQLAGMRGLMAKPDGSIIETPITANF
REGLNVLQYFISTHGARKGLADTALKTANSGYLTRRLVDVAQDLVVTEDD
CGTHEGIMMTPVIEGGDVKEPLRDRVLGRVTAEDVLKPGTADILVPRNTL
LHEQWCDLLEENSVDAVKVRSVVSCDTDFGVCAHCYGRDLARGHIINKGE
AIGVIAAQSIGEPGTQLTMRTFHIGGAASRAAAESSIQVKNKGSIKLSNV
KSVVNSSGKLVITSRNTELKLIDEFGRTKESYKVPYGAVLAKGDGEQVAG
GETVANWDPHTMPVITEVSGFVRFTDMIDGQTITRQTDELTGLSSLVVLD
SAERTAGGKDLRPALKIVDAQGNDVLIPGTDMPAQYFLPGKAIVQLEDGV
QISSGDTLARIPQESGGTKDITGGLPRVADLFEARRPKEPAILAEISGIV
SFGKETKGKRRLVITPVDGSDPYEEMIPKWRQLNVFEGERVERGDVISDG
PEAPHDILRLRGVHAVTRYIVNEVQDVYRLQGVKINDKHIEVIVRQMLRK
ATIVNAGSSDFLEGEQVEYSRVKIANRELEANGKVGATYSRDLLGITKAS
LATESFISAASFQETTRVLTEAAVAGKRDELRGLKENVIVGRLIPAGTGY
AYHQDRMRRRAAG
Ligand information
Ligand ID1N7
InChIInChI=1S/C32H58N2O8S/c1-20(7-10-29(39)33-13-6-14-34(4,5)18-23(36)19-43(40,41)42)24-8-9-25-30-26(17-28(38)32(24,25)3)31(2)12-11-22(35)15-21(31)16-27(30)37/h20-28,30,35-38H,6-19H2,1-5H3,(H-,33,39,40,41,42)/p+1/t20-,21+,22-,23?,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1
InChIKeyGUQQBLRVXOUDTN-XOHPMCGNSA-O
SMILES
SoftwareSMILES
CACTVS 3.370C[C@H](CCC(=O)NCCC[N+](C)(C)CC(O)C[S](O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
ACDLabs 12.01O=S(=O)(O)CC(O)C[N+](C)(C)CCCNC(=O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C
OpenEye OEToolkits 1.7.6C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
OpenEye OEToolkits 1.7.6CC(CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
CACTVS 3.370C[CH](CCC(=O)NCCC[N+](C)(C)CC(O)C[S](O)(=O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C
FormulaC32 H59 N2 O8 S
NameCHAPSO;
2-hydroxy-N,N-dimethyl-3-sulfo-N-(3-{[(3beta,5beta,7beta,12beta)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)propan-1-aminium
ChEMBL
DrugBank
ZINC
PDB chain7khe Chain D Residue 2006 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7khe Structural basis of ribosomal RNA transcription regulation.
Resolution3.58 Å
Binding residue
(original residue number in PDB)		D256 G257 R259
Binding residue
(residue number reindexed from 1)		D243 G244 R246
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:0005515 protein binding
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
GO:0006352 DNA-templated transcription initiation
GO:0006879 intracellular iron ion homeostasis
GO:0009408 response to heat
GO:0031564 transcription antitermination
GO:0032784 regulation of DNA-templated transcription elongation
GO:0036460 cellular response to cell envelope stress
GO:0042128 nitrate assimilation
GO:0044780 bacterial-type flagellum assembly
GO:0046677 response to antibiotic
GO:0048870 cell motility
GO:0071973 bacterial-type flagellum-dependent cell motility
GO:0090605 submerged biofilm formation
GO:2000142 regulation of DNA-templated transcription initiation
Cellular Component
GO:0000345 cytosolic DNA-directed RNA polymerase complex
GO:0000428 DNA-directed RNA polymerase complex
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0008023 transcription elongation factor complex
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7khe, PDBe:7khe, PDBj:7khe
PDBsum7khe
PubMed33483500
UniProtP0A8T7|RPOC_ECOLI DNA-directed RNA polymerase subunit beta' (Gene Name=rpoC)

[Back to BioLiP]