Structure of PDB 8q3i Chain D Binding Site BS01

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 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 chain8q3i 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

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PDB8q3i Molecular insights into RNA polymerase recycling by mycobacterial HelD
Resolution3.11 Å
Binding residue
(original residue number in PDB)		C890 C967 C974 C977
Binding residue
(residue number reindexed from 1)		C888 C965 C972 C975
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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