Structure of PDB 3aoi Chain D Binding Site BS04

Receptor Information
>3aoi Chain D (length=1316) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKKEVRKVRIALASPEKIRSWSYGEVEKPETINYRTLKPERDGLFDERIF
GPIKDVRRYRMGHIELATPAAHIWFVKDVPSKIGTLLDLSATELEQVLYF
SKYIVLDPKGAILNGVPVEKRQLLTDEEYRELRYGKQETYPLPPGVDALV
KDGEEVVKGQELAPGVVSRLDGVALYRFPRRVRVEYRVQPHMNVVVPEGA
RVEAGDKIVAAIDPEEEVIAEAEGVVHLHEPASILVVKARVYPFEDDVEV
STGDRVAPGDVLADGGKVKSDVYGRVEVDLVRNVVRVVESYDIDARMGAE
AIQQLLKELDLEALEKELLEEMKHPSRARRAKARKRLEVVRAFLDSGNRP
EWMILEAVPVLPPDLRPSDLNDLYRRLINRNNRLKKLLAQGAPEIIIRNE
KRMLQEAVDALLDNGRRGAPVTNPGSDRPLRSLTDILSGKQGRFRQNLLG
KRVDYSGRSVIVVGPQLKLHQCGLPKRMALELFKPFLLKKMEEKGIAPNV
KAARRMLERQRDIKDEVWDALEEVIHGKVVLLNRAPTLHRLGIQAFQPVL
VEGQSIQLHPLVCEAFNADFDGDQMAVHVPLSSFAQAEARIQMLSAHNLL
SPASGEPLAKPSRDIILGLYYITQVRKEKKGAGLEFATPEEALAAHERGE
VALNAPIKVAGRETSVGRLKYVFANPDEALLAVAHGIVDLQDVVTVRYMG
KRLETSPGRILFARIVAEAVEDEKVAWELIQLDVPQEKNSLKDLVYQAFL
RLGMEKTARLLDALKYYGFTFSTTSGITIGIDDAVIPEEKKQYLEEADRK
LLQIEQAYEMGFLTDRERYDQILQLWTETTEKVTQAVFKNFEENYPFNPL
YVMAQSGARGNPQQIRQLCGLRGLMQKPSGETFEVPVRSSFREGLTVLEY
FISSHGARKGGADTALRTADSGYLTRKLVDVTHEIVVREADCGTTNYISV
PLFQPDEVTRSLRLRKRADIEAGLYGRVLAREVEVLGVRLEEGRYLSMDD
VHLLIKAAEAGEIQEVPVRSPLTCQTRYGVCQKCYGYDLSMARPVSIGEA
VGIVAAQSIGEPGTQLTDITQGLPRVIELFEARRPKAKAVISEIDGVVRI
EETEEKLSVFVESEGFSKEYKLPKEARLLVKDGDYVEAGQPLTRGAIDPH
QLLEAKGPEAVERYLVEEIQKVYRAQGVKLHDKHIEIVVRQMMKYVEVTD
PGDSRLLEGQVLEKWDVEALNERLIAEGKTPVAWKPLLMGVTKSALSTKS
WLSAASFQNTTHVLTEAAIAGKKDELIGLKENVILGRLIPAGTGSDFVRF
TQVVDQKTLKAIEEAR
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 chain3aoi Chain D Residue 2004 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3aoi Crystal structure of bacterial RNA polymerase bound with a transcription inhibitor protein
Resolution4.3 Å
Binding residue
(original residue number in PDB)		D739 D741 D743
Binding residue
(residue number reindexed from 1)		D569 D571 D573
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:3aoi, PDBe:3aoi, PDBj:3aoi
PDBsum3aoi
PubMed21124318
UniProtQ8RQE8|RPOC_THET8 DNA-directed RNA polymerase subunit beta' (Gene Name=rpoC)

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