Structure of PDB 1vs0 Chain A Binding Site BS01

Receptor Information
>1vs0 Chain A (length=299) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FEFDNLAPMLATHGTVAGLKASQWAFEGKWDGYRLLVEADHGAVRLRSRS
GRDVTAEYPQLRALAEDLADHHVVLDGEAVVLDSSGVPSFSQMQNRGRDT
RVEFWAFDLLYLDGRALLGTRYQDRRKLLETLANATSLTVPELLPGDGAQ
AFACSRKHGWEGVIAKRRDSRYQPGRRCASWVKDKHWNTQEVVIGGWRAV
GSLLMGIPGPGGLQFAGRVGTGLSERELANLKEMLAPLHTDESPFDVPLP
ARDAKGITYVKPALVAEVRYSEWTPEGRLRQSSWRGLRPDKKPSEVVRE
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 chain1vs0 Chain A Residue 9002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1vs0 Crystal Structure and Nonhomologous End-joining Function of the Ligase Component of Mycobacterium DNA Ligase D.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		X481 D483 E613
Binding residue
(residue number reindexed from 1)		X29 D31 E161
Annotation score4
Enzymatic activity
Enzyme Commision number 6.5.1.1: DNA ligase (ATP).
Gene Ontology
Molecular Function
GO:0003910 DNA ligase (ATP) activity
GO:0005524 ATP binding
Biological Process
GO:0006281 DNA repair
GO:0006310 DNA recombination

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Molecular Function
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Biological Process
External links
PDB RCSB:1vs0, PDBe:1vs0, PDBj:1vs0
PDBsum1vs0
PubMed16476729
UniProtP9WNV3|LIGD_MYCTU Multifunctional non-homologous end joining DNA repair protein LigD (Gene Name=ligD)

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