Structure of PDB 8ehq Chain D Binding Site BS06

Receptor Information
>8ehq Chain D (length=1273) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDVNFFDELRIGLATAEDIRQWSYGEVKKPETINYRTLKPEKDGLFCEKI
FGPTRDWECYCGKYKRVRFKGIICERCGVEVTRAKVRRERMGHIELAAPV
THIWYFKGVPSRLGYLLDLAPKDLEKIIYFAAYVITSVDEEMRHNELSTL
EAEMAVERKAVEDQRDGELEARAQKLEADLAELEAEGAKADARRKVRDGG
EREMRQIRDRAQRELDRLEDIWSTFTKLAPKQLIVDENLYRELVDRYGEY
FTGAMGAESIQKLIENFDIDAEAESLRDVIRNGKGQKKLRALKRLKVVAA
FQQSGNSPMGMVLDAVPVIPPELRPMVQLDGGRFATSDLNDLYRRVINRN
NRLKRLIDLGAPEIIVNNEKRMLQESVDALFDNGRRGRPVTGPGNRPLKS
LSDLLKGKQGRFRQNLLGKRVDYSGRSVIVVGPQLKLHQCGLPKLMALEL
FKPFVMKRLVDLNHAQNIKSAKRMVERQRPQVWDVLEEVIAEHPVLLNRA
PTLHRLGIQAFEPMLVEGKAIQLHPLVCEAFNADFDGDQMAVHLPLSAEA
QAEARILMLSSNNILSPASGRPLAMPRLDMVTGLYYLTTEVPGDTGEYQP
ASGDHPETGVYSSPAEAIMAADRGVLSVRAKIKVRLTQLRPPVEIEAELF
GHSGWQPGDAWMAETTLGRVMFNELLPLGYPFVNKQMHKKVQAAIINDLA
ERYPMIVVAQTVDKLKDAGFYWATRSGVTVSMADVLVPPRKKEILDHYEE
RADKVEKQFQRGALNHDERNEALVEIWKEATDEVGQALREHYPDDNPIIT
IVDSGATGNFTQTRTLAGMKGLVTNPKGEFIPRPVKSSFREGLTVLEYFI
NTHGARKGLADTALRTADSGYLTRRLVDVSQDVIVREHDCQTERGIVVEL
AERAPDGTLIRDPYIETSAYARTLGTDAVDEAGNVIVERGQDLGDPEIDA
LLAAGITQVKVRSVLTCATSTGVCATCYGRSMATGKLVDIGEAVGIVAAQ
SIGEPGTQLTMRTDITGGLPRVQELFEARVPRGKAPIADVTGRVRLEDGE
RFYKITIVPDDGGEEVVYDKISKRQRLRVFKHEDGSERVLSDGDHVEVGQ
QLMEGSADPHEVLRVQGPREVQIHLVREVQEVYRAQGVSIHDKHIEVIVR
QMLRRVTIIDSGSTEFLPGSLIDRAEFEAENRRVVAEGGEPAAGRPVLMG
ITKASLATDSWLSAASFQETTRVLTDAAINCRSDKLNGLKENVIIGKLIP
AGTGINRYRNIAVQPTEEARAAA
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8ehq Chain D Residue 2003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8ehq Allosteric mechanism of transcription inhibition by NusG-dependent pausing of RNA polymerase.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		C62 C78
Binding residue
(residue number reindexed from 1)		C61 C77
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
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0009274 peptidoglycan-based cell wall

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8ehq, PDBe:8ehq, PDBj:8ehq
PDBsum8ehq
PubMed36745813
UniProtP9WGY7|RPOC_MYCTU DNA-directed RNA polymerase subunit beta' (Gene Name=rpoC)

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