Structure of PDB 8q3i Chain D Binding Site BS03

Receptor Information
>8q3i Chain D (length=1272) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVNFFDELRIGLATADDIRNWSYGEVKKPETINYRTLKPEKDGLFCEKIF
GPTRDWECYCGKYKRVRFKGIICERCGVEVTRAKVRRERMGHIELAAPVT
HIWYFKGVPSRLGYLLDLAPKDLEKIIYFAAYVITSVDDEMRHNELSTLE
AEMAVEKKAVEDQRDADLEARAQKLEADLAELEAEGAKSDVRRKVRDSGE
REMRQLRDRAQRELDRLDEIWNTFTKLAPKQLIVDEVLYRELQDRYGEYF
TGAMGAESIKKLIENFDIDAEAESLREVIRSGKGQKKLRALKRLKVVAAF
QQSGNSPMGMVLDAVPVIPPELRPMVQLDGGRFATSDLNDLYRRVINRNN
RLKRLIDLGAPEIIVNNEKRMLQESVDALFDNGRRGRPVTGPGNRPLKSL
SDLLKGKQGRFRQNLLGKRVDYSGRSVIVVGPQLKLHQCGLPKLMALELF
KPFVMKRLVDLNHAQNIKSAKRMVERQRPQVWDVLEEVIAEHPVLLNRAP
TLHRLGIQAFEPQLVEGKAIQLHPLVCEAFNADFDGDQMAVHLPLSAEAQ
AEARILMLSSNNILSPASGKPLAMPRLDMVTGLYYLTTLVEGATGEYQAA
TKDAPEQGVYSSPAEAIMAMDRGALSVRAKIKVRLTELRPPTDLEAQLFE
NGWKPGDAWTAETTLGRVMFNELLPKSYPFVNEQMHKKVQARIINDLAER
FPMIVVAQTVDKLKDAGFYWATRSGVTVSMADVLVPPQKQEILERHEAEA
DAIERKYQRGALNHTERNESLVKIWQDATEEVGKALEEFYPADNPIITIV
KSGATGNLTQTRTLAGMKGLVTNPKGEFIPRPIKSSFREGLTVLEYFINT
HGARKGLADTALRTADSGYLTRRLVDVSQDVIVREHDCETERGINVTLAE
RGPDGTLIRDAHVETSAFARTLATDAVDANGNVIIERGHDLGDPAIDALL
AAGITTVKVRSVLTCTSATGVCAMCYGRSMATGKLVDIGEAVGIVAAQSI
GEPGTQLTMRTFHQIVGGLPRVQELFEARVPRNKAPIADVAGRVRLEESD
KFFKITIVPDDGGEEVVYDKLSKRQRLRVITHEDGTEGVLSDGDHVEVGD
QLMEGAADPHEVLRVQGPREVQIHLVKEVQEVYRAQGVSIHDKHIEVIVR
QMLRRVTIIDSGSTEFLPGSLTERAEFEAENRRVVAEGGEPAAGRPVLMG
ITKASLATDSWLSAASFQETTRVLTDAAINCRSDKLNGLKENVIIGKLIP
AGTGISRYRNIQVQPTEEARAA
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 chain8q3i Chain D Residue 2003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8q3i Molecular insights into RNA polymerase recycling by mycobacterial HelD
Resolution3.11 Å
Binding residue
(original residue number in PDB)		D535 D537 D539
Binding residue
(residue number reindexed from 1)		D533 D535 D537
Annotation score1
External links
PDB RCSB:8q3i, PDBe:8q3i, PDBj:8q3i
PDBsum8q3i
PubMed
UniProtA0QS66|RPOC_MYCS2 DNA-directed RNA polymerase subunit beta' (Gene Name=rpoC)

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