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Structure paper

TitleStructural characterization of beta-ketoacyl ACP synthase I bound to platencin and fragment screening molecules at two substrate binding sites.
Journal, issue, pagesProteins, Vol. 88, Page 47-56, Year 2020
Publish dateFeb 11, 2010 (structure data deposition date)
AuthorsPatterson, E.I. / Nanson, J.D. / Abendroth, J. / Bryan, C. / Sankaran, B. / Myler, P.J. / Forwood, J.K.
External linksProteins / PubMed:31237717
MethodsX-ray diffraction
Resolution1.25 - 1.7 Å
Structure data

PDB-3lrf:
Crystal structure of beta-ketoacyl synthase from brucella melitensis
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-3mqd:
Crystal structure of beta-ketoacyl synthase from brucella melitensis with FOL 0758, (1-methyl-1h-indazol-3-yl) methanol
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-3u0e:
Crystal structure of beta-ketoacyl synthase from Brucella melitensis in complex with fragment 9320
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-3u0f:
The structure of Beta-ketoacyl synthase from Brucella melitensis bound to the fragment 7-hydroxycoumarin
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-4jv3:
Crystal structure of beta-ketoacyl synthase from Brucella melitensis in complex with platencin
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-CL:
Unknown entry

ChemComp-3MQ:
(5-thiophen-2-ylisoxazol-3-yl)methanol

ChemComp-07K:
8-methylquinolin-4-amine

ChemComp-07L:
7-hydroxy-2H-chromen-2-one

ChemComp-MOH:
METHANOL

ChemComp-N32:
2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid

Source
  • brucella melitensis biovar abortus (bacteria)
KeywordsTRANSFERASE / SSGCID / NIH / NIAID / SBRI / UW / EMERALD BIOSTRUCTURES / BETA-KETOACYL SYNTHASE / BRUCELLA MELITENSIS / Acyltransferase / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease / ALS COLLABORATIVE CRYSTALLOGRAPHY / FRAGMENTS OF LIFE / 8-methylquinolin-4-amine / Transferase/Antibiotic / platencin / Transferase-Antibiotic complex

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