3MBL

Crystal Structure of the human mitogen-activated protein kinase kinase 1 (MEK 1) in complex with ligand and MgADP

Summary for 3MBL

DescriptorDual specificity mitogen-activated protein kinase kinase 1, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... (5 entities in total)
Functional Keywordskinase inhibitor, transferase
Biological sourceHomo sapiens (human)
Total number of polymer chains1
Total molecular weight37552.95
Authors
Dougan, D.R.,Mol, C.D. (deposition date: 2010-03-25, release date: 2010-07-28, Last modification date: 2011-07-13)
Primary citation
Wallace, M.B.,Adams, M.E.,Kanouni, T.,Mol, C.D.,Dougan, D.R.,Feher, V.A.,O'Connell, S.M.,Shi, L.,Halkowycz, P.,Dong, Q.
Structure-based design and synthesis of pyrrole derivatives as MEK inhibitors.
Bioorg.Med.Chem.Lett., 20:4156-4158, 2010
PubMed: 20621728 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2010.05.058
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.6 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.2131004.4%2.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 3mbl
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Molmil generated image of 3mbl
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Molmil generated image of 3mbl
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More Biological unit images

Molmil generated image of 3mbl
no rotation
Molmil generated image of 3mbl
rotated about x axis by 90°
Molmil generated image of 3mbl
rotated about y axis by 90°
(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (3mbl.pdb2.gz [103.11 KB])
Coordinate files for Biological unit (3mbl.pdb1.gz [203.37 KB])