Structure of PDB 5tw1 Chain D Binding Site BS01

Receptor Information
>5tw1 Chain D (length=1248) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VNFFDELRIGLATADDIRNWSYGEVKKPETINYRTLKPEKDGLFCEKIFG
PTRDWECYCGKYKRVRFKGIICERCGVEVTRAKVRRERMGHIELAAPVTH
IWYFKGVPSRLGYLLDLAPKDLEKIIYFAAYVITSVDDEMRHNELSTLEA
EMAVEKKAVEDQRDADLEARAQKLEADLAELEAEGAKSDVRRKVRDSGER
EMRQLRDRAQRELDRLDEIWNTFTKLAPKQLIVDEVLYRELQDRYGEYFT
GAMGAESIKKLIENFDIDAEAESLREVIRSGKGQKKLRALKRLKVVAAFQ
QSGNSPMGMVLDAVPVIPPELRPMVQLDGGRFATSDLNDLYRRVINRNNR
LKRLIDLGAPEIIVNNEKRMLQESVDALFDNGRRGRPVTGPGNRPLKSLS
DLLKGKQGRFRQNLLGKRVDYSGRSVIVVGPQLKLHQCGLPKLMALELFK
PFVMKRLVDLNHAQNIKSAKRMVERQRPQVWDVLEEVIAEHPVLLNRAPT
LHRLGIQAFEPQLVEGKAIQLHPLVCEAFNADFDGDQMAVHLPLSAEAQA
EARILMLSSNNILSPASGKPLAMPRLDMVTGLYYLTTLVEGATGEYQAAT
KDAPEQGVYSSPAEAIMAMDRGALSVRAKIKVRLTELRPPTDLEAQLFEN
GWKPGDAWTAETTLGRVMFNELLPKSYPFVNEQMHKKVQARIINDLAERF
PMIVVAQTVDKLKDAGFYWATRSGVTVSMADVLVPPQKQEILERHEAEAD
AIERKYQRGALNHTERNESLVKIWQDATEEVGKALEEFYPADNPIITIVK
SGATGNLTQTRTLAGMKGLVTNPKGEFIPRPIKSSFREGLTVLEYFINTH
GARKGLADTALRTADSGYLTRRLVDVSQDVIVREHDCETERGINVTLAER
GPDIRDAHVETSAFARTLATDAVDANGNVIIERGHDLGDPAIDALLAAGI
TTVKVRSVLTCTSATGVCAMCYGRSMATGKLVDIGEAVGIVAAQSIGEPG
TQLTGGLPRVQELFEARVPRNKAPIADVAGRVRLEESDKFFKITIVPDDG
GEEVVYDKLSKRQRLRVIGVLSDGDHVEVGDQLMEGAADPHEVLRVQGPR
EVQIHLVKEVQEVYRAQGVSIHDKHIEVIVRQMLRRVTIIDSGSTEFLPG
SLTERAEFEAENRRVVAAGRPVLMGITKASLATDSWLSAASFQETTRVLT
DAAINCRSDKLNGLKENVIIGKLIPAGTGISRYRNIQVQPTEEARAAA
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 chain5tw1 Chain D Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5tw1 Structure and function of the mycobacterial transcription initiation complex with the essential regulator RbpA.
Resolution2.76 Å
Binding residue
(original residue number in PDB)		C890 C967 C974 C977
Binding residue
(residue number reindexed from 1)		C887 C961 C968 C971
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:5tw1, PDBe:5tw1, PDBj:5tw1
PDBsum5tw1
PubMed28067618
UniProtA0QS66|RPOC_MYCS2 DNA-directed RNA polymerase subunit beta' (Gene Name=rpoC)

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