Structure of PDB 3aoi Chain I Binding Site BS02

Receptor Information
>3aoi Chain I (length=1262) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKEVRKVRIALASPEKIRSWSYGEVEKPETINYRTLKPERDGLFDERIFG
PIKIVRRYRMGHIELATPAAHIWFVKDVPSKIGTLLDLSATELEQVLYFS
KYIVLDPKGAILNGVPVEKRQLLTDEEYRELRYGKQETYPLPPGVDALVK
DGEEVVKGQELAPGVVSRLDGVALYRFPASILVVKARVYPFEDDVEVSTG
DRVAPGDVLADGGKVKSDVYGRVEVDLVRNVVRVVESYDIDARMGAEAIQ
QLLKELDLEALEKELLEEMKHPSRARRAKARKRLEVVRAFLDSGNRPEWM
ILEAVPVLPPDLRSDLNDLYRRLINRNNRLKKLLAQGAPEIIIRNEKRML
QEAVDALLDNGRRGAPVTNPGSDRPLRSLTDILSGKQGRFRQNLLGKRVD
YSGRSVIVVGPQLKLHQCGLPKRMALELFKPFLLKKMEEKGIAPNVKAAR
RMLERQRDIKDEVWDALEEVIHGKVVLLNRAPTLHRLGIQAFQPVLVEGQ
SIQLHPLVCEAFNADFDGDQMAVHVPLSSFAQAEARIQMLSAHNLLSPAS
GEPLAKPSRDIILGLYYITQVRKEKKGAGLEFATPEEALAAHERGEVALN
APIKVAGRETSVGRLKYVFANPDEALLAVAHGIVDLQDVVTVRYMGKRLE
TSPGRILFARIVAEAVEDEKVAWELIQLDVPQEKNSLKDLVYQAFLRLGM
EKTARLLDALKYYGFTFSTTSGITIGIDDAVIPEEKKQYLEEADRKLLQI
EQAYEMGFLTDRERYDQILQLWTETTEKVTQAVFKNFEENYPFNPLYVMA
QSGARGNPQQIRQLCGLRGLMQKPSGETFEVPVRSSFREGLTVLEYFISS
HGARKGGADTALRTADSGYLTRKLVDVTHEIVVREADCGTTNYISVPLFQ
PDEVTRSLRLRKRADIEAGLYGRVLAREVEVLGVRLEEGRYLSMDDVHLL
IKAAEAGEIQEVPVRSPLTCQTRYGVCQKCYGYDLSMARPVSIGEAVGIV
AAQSIGEPGTQLTMRTQGLPRVIELFEARRPKAKAVISEIDGVVRIEETE
EKLSVFVESEGFSKEYKLPKEARLLVKDGDYVEAGQPLTRGAIDPHQLLE
AKGPEAVERYLVEEIQKVYRAQGVKLHDKHIEIVVRQMMKYVEVTDPGDS
RLLEGQVLEKWDVEALNERLIAEGKTPVAWKPLLMGVTKSALSTKSWLSA
ASFQNTTHVLTEAAIAGKKDELIGLKENVILGRLIPAGTGSDFVRFTQVV
DQKTLKAIEEAR
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 chain3aoi Chain I Residue 2003 [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)		C1112 C1194
Binding residue
(residue number reindexed from 1)		C888 C970
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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