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GENERAL
TITLE
CRYSTAL STRUCTURE OF 7,8-DIAMINOPELARGONIC ACID SYNTHASE (BIOA) FROM MYCOBACTERIUM TUBERCULOSIS, COMPLEXED WITH AN INHIBITOR OPTIMIZED FROM HTS LEAD: 5-[4-(1,3-BENZODIOXOL-5-YLCARBONYL)PIPERAZIN-1-YL]-2, 3-DIHYDROINDEN-1-ONE
DATE LAST MODIFIED
11 Dec 2019
RELEASE
14 Jun 2017
OBSOLETE
CLASSIFICATION
TRANSFERASE/TRANSFERASE INHIBITOR
EXPERIMENT TYPE
X-RAY DIFFRACTION
SPACE GROUP
P 21 21 21
RESOLUTION RANGE HIGH
2.1
RESOLUTION RANGE LOW
203.898
PUBMED ID
DOI
10.1021/ACS.JMEDCHEM.7B00189

Chains

Structure ChainTarget ProteinGeneExpression SystemOrganismSynonymsActions
P0A4X7 BIOA, MB1595 ESCHERICHIA COLI MYCOBACTERIUM BOVIS (STRAIN ATCC BAA-935 / 7,8-DIAMINO-PELARGONIC ACID AMINOTRANSFERASE,DAPAAMINOTRANSFERASE,8-DIAMINONONANOATE SYNTHASE,DANS,DIAMINOPELARGONICACID SYNTHASE MYCOBACTERIUM BOVIS (STRAIN ATCC BAA-935 /
7,8-DIAMINO-PELARGONIC ACID AMINOTRANSFERASE,DAPAA ...
Mutations
P0A4X7 BIOA, MB1595 ESCHERICHIA COLI MYCOBACTERIUM BOVIS (STRAIN ATCC BAA-935 / 7,8-DIAMINO-PELARGONIC ACID AMINOTRANSFERASE,DAPAAMINOTRANSFERASE,8-DIAMINONONANOATE SYNTHASE,DANS,DIAMINOPELARGONICACID SYNTHASE MYCOBACTERIUM BOVIS (STRAIN ATCC BAA-935 /
7,8-DIAMINO-PELARGONIC ACID AMINOTRANSFERASE,DAPAA ...
Mutations
NGL Viewer is used for the molecular visualization.
  • AS Rose, AR Bradley, Y Valasatava, JM Duarte, A Prlić and PW Rose. NGL viewer: web-based molecular graphics for large complexes. Bioinformatics: bty419, 2018. doi:10.1093/bioinformatics/bty419
  • AS Rose and PW Hildebrand. NGL Viewer: a web application for molecular visualization. Nucl Acids Res (1 July 2015) 43 (W1): W576-W579 first published online April 29, 2015. doi:10.1093/nar/gkv402