Structure of PDB 4q5s Chain D Binding Site BS04

Receptor Information
>4q5s Chain D (length=1484) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVRKVRIALASPEKIRSWSYGEVEKPETINYRTLKPERDGLFDERIFGPI
KDYECACGKYKRQRFEGKVCERCGVEVTKSIVRRYRMGHIELATPAAHIW
FVKDVPSKIGTLLDLSATELEQVLYFSKYIVLDPKGAILNGVPVEKRQLL
TDEEYRELRYGKQETYPLPPGVDALVKDGEEVVKGQELAPGVVSRLDGVA
LYRFPRRVRVEYVKKERAGLRLPLAAWVEKEAYKPGEILAELPEPYLFRA
EEEGVVELKELEEGAFLVLRREDEPVATYFLPVGMTPLVVHGEIVEKGQP
LAEAKGLLRMPRQVRAAQVEAEEEGETVYLTLFLEWTEPKDYRVQPHMNV
VVPEGARVEAGDKIVAAIDPEEEVIAEAEGVVHLHEPASILVVKARVYPF
EDDVEVSTGDRVAPGDVLADGGKVKSDVYGRVEVDLVRNVVRVVESYDID
ARMGAEAIQQLLKELDLEALEKELLEEMKHPSRARRAKARKRLEVVRAFL
DSGNRPEWMILEAVPVLPPDLRPMVQVDGGRFATSDLNDLYRRLINRNNR
LKKLLAQGAPEIIIRNEKRMLQEAVDALLDNGRRGAPVTNPGSDRPLRSL
TDILSGKQGRFRQNLLGKRVDYSGRSVIVVGPQLKLHQCGLPKRMALELF
KPFLLKKMEEKGIAPNVKAARRMLERQRDIKDEVWDALEEVIHGKVVLLN
RAPTLHRLGIQAFQPVLVEGQSIQLHPLVCEAFNADFDGDQMAVHVPLSS
FAQAEARIQMLSAHNLLSPASGEPLAKPSRDIILGLYYITQVRKEKKGAG
LEFATPEEALAAHERGEVALNAPIKVAGRETSVGRLKYVFANPDEALLAV
AHGIVDLQDVVTVRYMGKRLETSPGRILFARIVAEAVEDEKVAWELIQLD
VPQEKNSLKDLVYQAFLRLGMEKTARLLDALKYYGFTFSTTSGITIGIDD
AVIPEEKKQYLEEADRKLLQIEQAYEMGFLTDRERYDQILQLWTETTEKV
TQAVFKNFEENYPFNPLYVMAQSGARGNPQQIRQLCGLRGLMQKPSGETF
EVPVRSSFREGLTVLEYFISSHGARKGGADTALRTADSGYLTRKLVDVTH
EIVVREADCGTTNYISVPLFQPDEVTRSLRLRKRADIEAGLYGRVLAREV
EVLGVRLEEGRYLSMDDVHLLIKAAEAGEIQEVPVRSPLTCQTRYGVCQK
CYGYDLSMARPVSIGEAVGIVAAQSIGEPGTQLTMQGLPRVIELFEARRP
KAKAVISEIDGVVRIEETEEKLSVFVESEGFSKEYKLPKEARLLVKDGDY
VEAGQPLTRGAIDPHQLLEAKGPEAVERYLVEEIQKVYRAQGVKLHDKHI
EIVVRQMMKYVEVTDPGDSRLLEGQVLEKWDVEALNERLIAEGKTPVAWK
PLLMGVTKSALSTKSWLSAASFQNTTHVLTEAAIAGKKDELIGLKENVIL
GRLIPAGTGSDFVRFTQVVDQKTLKAIEEARKEA
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 chain4q5s Chain D Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4q5s Structural basis of transcription initiation by bacterial RNA polymerase holoenzyme.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		D739 D741 D743
Binding residue
(residue number reindexed from 1)		D736 D738 D740
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4q5s, PDBe:4q5s, PDBj:4q5s
PDBsum4q5s
PubMed24973216
UniProtQ8RQE8|RPOC_THET8 DNA-directed RNA polymerase subunit beta' (Gene Name=rpoC)

[Back to BioLiP]