Structure of PDB 3zqj Chain E Binding Site BS01

Receptor Information
>3zqj Chain E (length=919) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADRLIVKGAREHNLRSVDLDLPRDALIVFTGLSGSGKSSLAFDTIFAEGQ
RRYVESLSAYARQFLGQMDKPDVDFIEGLSPAVSIDQKSTNRNPRSTVGT
ITEVYDYLRLLYARAGTPHCPARQTPQQIVDQVLAMPEGTRFLVLAPVVR
TRKGEFADLFDKLNAQGYSRVRVDGVVHPLTDPPKLKKQEKHDIEVVVDK
RRLTDSVETALNLADGIVVLEFVDHLACPNGHALAVDDLEPRSFSFNSPY
GACPECSGLGIRKEVDPELVVPDPDRTLAQGAVAPWSNGHTAEYFTRMMA
GLGEALGFDVDTPWLPAKARKAILEGADEQVHVRYRNRYGRTRSYYADFE
GVLAFLQRKMSQTESEQMKERYEGFMRDVPCPVCAGTRLKPEILAVTLAK
GEHGAKSIAEVCELSIADCADFLNALTLGPREQAIAGQVLKEIRSRLGFL
LDVGLEYLSLSRAAATLSGGEAQRIRLATQIGSGLVGVLYVLDEPSIGLH
QRDNRRLIETLTRLRDLGNTLIVVEHDEDTIEHADWIVDIGPGAGEHGGR
IVHSGPYDELLRNKDSITGAYLSGRESIEIPAIRRSVDPRRQLTVVGARE
HNLRGIDVSFPLGVLTSVTGVSGSGKSTLVNDILAAVLANRLNGARQVPG
RHTRVTGLDYLDKLVRVDQSPIGRTPRSNPATYTGVFDKIRTLFAATTEA
KVRGYQPGRFSFNVKGGRCEACTGDGTIKIEMNFLPDVYVPCEVCQGARY
NRETLEVHYKGKTVSEVLDMSIEEAAEFFEPIAGVHRYLRTLVDVGLGYV
RLGQPAPTLSGGEAQRVKLASELQKRSTGRTVYILDEPTTGLHFDDIRKL
LNVINGLVDKGNTVIVIEHNLDVIKTSDWIIDLGPEGGAGGGTVVAQGTP
EDVAAVPASYTGKFLAEVV
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 chain3zqj Chain E Residue 1954 [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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PDB3zqj The Biological and Structural Characterization of Mycobacterium Tuberculosis Uvra Provides Novel Insights Into its Mechanism of Action
Resolution3.4 Å
Binding residue
(original residue number in PDB)		C753 C756 C776 C779
Binding residue
(residue number reindexed from 1)		C719 C722 C742 C745
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0004518 nuclease activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008270 zinc ion binding
GO:0009381 excinuclease ABC activity
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
Biological Process
GO:0006281 DNA repair
GO:0006289 nucleotide-excision repair
GO:0006974 DNA damage response
GO:0009432 SOS response
GO:0060543 negative regulation of strand invasion
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0009274 peptidoglycan-based cell wall
GO:0009380 excinuclease repair complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3zqj, PDBe:3zqj, PDBj:3zqj
PDBsum3zqj
PubMed21622956
UniProtP9WQK7|UVRA_MYCTU UvrABC system protein A (Gene Name=uvrA)

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