2VBD

Isopenicillin N synthase with substrate analogue L,L,L-ACOMP (unexposed)

Summary for 2VBD

Related1HB1 1IPS 1OC1 1W04 1W05 1W3V 2BJS 2JB4 2VAU 1BK0 1BLZ 1HB2 1HB3 1HB4 1OBN 1ODM 1ODN 1QIQ 1QJE 1QJF 1UZW 1W03 1W06 1W3X 2BU9 2IVI 2IVJ 2VBB
DescriptorISOPENICILLIN N SYNTHETASE, FE (II) ION, N^6^-[(1R)-2-[(1R)-1-carboxy-2-(methylsulfanyl)ethoxy]-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine, ... (4 entities in total)
Functional Keywordsantibiotic biosynthesis, penicillin biosynthesis, iron, oxygenase, vitamin c, metal-binding, monocyclic intermediate, oxidoreductase, b-lactam antibiotic
Biological sourceEMERICELLA NIDULANS (ASPERGILLUS NIDULANS)
Total number of polymer chains1
Total molecular weight38002.13
Authors
Ge, W.,Clifton, I.J.,Adlington, R.M.,Baldwin, J.E.,Rutledge, P.J. (deposition date: 2007-09-10, release date: 2008-09-23, Last modification date: 2013-01-30)
Primary citation
Ge, W.,Clifton, I.J.,Stok, J.E.,Adlington, R.M.,Baldwin, J.E.,Rutledge, P.J.
The Crystal Structure of an Lll-Configured Depsipeptide Substrate Analogue Bound to Isopenicillin N Synthase.
Org.Biomol.Chem., 8:122-, 2010
PubMed: 20024142 (PDB entries with the same primary citation)
DOI: 10.1039/B910170E
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.222201.8%1.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 2vbd
no rotation
Molmil generated image of 2vbd
rotated about x axis by 90°
Molmil generated image of 2vbd
rotated about y axis by 90°