Structure of PDB 4wqt Chain D Binding Site BS01

Receptor Information
>4wqt Chain D (length=1334) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKKEVRKVRIALASPEKIRSWSYGEVEKPETINYRTLKPERDGLFDERIF
GPIKDRRYRMGHIELATPAAHIWFVKDVPSKIGTLLDLSATELEQVLYFS
KYIVLDPKGAILNGVPVEKRQLLTDEEYRELRYGKQETYPLPPGVDALVK
DGEEVVKGQELAPGVVSRLDGVALYRFPRRVRVEYVPKDYRVQPHMNVVV
PEGARVEAGDKIVAAIDPEEEVIAEAEGVVHLHEPASILVVKARVYPFED
DVEVSTGDRVAPGDVLADGGKVKSDVYGRVEVDLVRNVVRVVESYDIDAR
MGAEAIQQLLKELDLEALEKELLEEMKHPSRARRAKARKRLEVVRAFLDS
GNRPEWMILEAVPVLPPDLRATSDLNDLYRRLINRNNRLKKLLAQGAPEI
IIRNEKRMLQEAVDALLDNGRRGAPVTNPGSDRPLRSLTDILSGKQGRFR
QNLLGKRVDYSGRSVIVVGPQLKLHQCGLPKRMALELFKPFLLKKMEEKG
IAPNVKAARRMLERQRDIKDEVWDALEEVIHGKVVLLNRAPTLHRLGIQA
FQPVLVEGQSIQLHPLVCEAFNADFDGDQMAVHVPLSSFAQAEARIQMLS
AHNLLSPASGEPLAKPSRDIILGLYYITQVRKEKKGAGLEFATPEEALAA
HERGEVALNAPIKVAGRETSVGRLKYVFANPDEALLAVAHGIVDLQDVVT
VRYMGKRLETSPGRILFARIVAEAVEDEKVAWELIQLDVPQEKNSLKDLV
YQAFLRLGMEKTARLLDALKYYGFTFSTTSGITIGIDDAVIPEEKKQYLE
EADRKLLQIEQAYEMGFLTDRERYDQILQLWTETTEKVTQAVFKNFEENY
PFNPLYVMAQSGARGNPQQIRQLCGLRGLMQKPSGETFEVPVRSSFREGL
TVLEYFISSHGARKGGADTALRTADSGYLTRKLVDVTHEIVVREADCGTT
NYISVPLFQPDEVTRSLRLRKRADIEAGLYGRVLAREVEVLGVRLEEGRY
LSMDDVHLLIKAAEAGEIQEVPVRSPLTCQTRYGVCQKCYGYDLSMARPV
SIGEAVGIVAAQSIGEPGTQLTMRTFHTGGVAGAADITQGLPRVIELFEA
RRPKAKAVISEIDGVVRIEETEEKLSVFVESEGFSKEYKLPKEARLLVKD
GDYVEAGQPLTRGAIDPHQLLEAKGPEAVERYLVEEIQKVYRAQGVKLHD
KHIEIVVRQMMKYVEVTDPGDSRLLEGQVLEKWDVEALNERLIAEGKTPV
AWKPLLMGVTKSALSTKSWLSAASFQNTTHVLTEAAIAGKKDELIGLKEN
VILGRLIPAGTGSDFVRFTQVVDQKTLKAIEEAR
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 chain4wqt 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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PDB4wqt The Ratcheted and Ratchetable Structural States of RNA Polymerase Underlie Multiple Transcriptional Functions.
Resolution4.4 Å
Binding residue
(original residue number in PDB)		C1112 V1200 C1201
Binding residue
(residue number reindexed from 1)		C947 V1035 C1036
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
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:4wqt, PDBe:4wqt, PDBj:4wqt
PDBsum4wqt
PubMed25601758
UniProtQ8RQE8|RPOC_THET8 DNA-directed RNA polymerase subunit beta' (Gene Name=rpoC)

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