4RNQ

Crystal structure of tobacco 5-epi-aristolochene synthase (TEAS) with anilinogeranyl diphosphate (AGPP) and geraniline

Summary for 4RNQ

Descriptor5-epi-aristolochene synthase, MAGNESIUM ION, (2E,6E)-3,7-dimethyl-8-(phenylamino)octa-2,6-dien-1-yl trihydrogen diphosphate, ... (7 entities in total)
Functional Keywordsteas, 5-epi-aristolochene synthase, anilinogeranyl diphosphate (agpp), geraniline, terpene synthase, lyase
Biological sourceNicotiana tabacum (American tobacco,tobacco)
Cellular locationCytoplasm Q40577
Total number of polymer chains1
Total molecular weight64140.27
Authors
Koo, H.J.,Crenshaw, C.M.,Starks, C.,Spielmann, H.P.,Chappell, J.,Noel, J.P. (deposition date: 2014-10-24, release date: 2015-05-06, Last modification date: 2015-07-29)
Primary citation
Rising, K.A.,Crenshaw, C.M.,Koo, H.J.,Subramanian, T.,Chehade, K.A.,Starks, C.,Allen, K.D.,Andres, D.A.,Spielmann, H.P.,Noel, J.P.,Chappell, J.
Formation of a Novel Macrocyclic Alkaloid from the Unnatural Farnesyl Diphosphate Analogue Anilinogeranyl Diphosphate by 5-Epi-Aristolochene Synthase.
Acs Chem.Biol., 10:1729-1736, 2015
PubMed: 25897591 (PDB entries with the same primary citation)
DOI: 10.1021/acschembio.5b00145
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.47 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.22930.4%4.4%4.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 4rnq
no rotation
Molmil generated image of 4rnq
rotated about x axis by 90°
Molmil generated image of 4rnq
rotated about y axis by 90°