Crystal structure of Neutrophil gelatinase-associated lipocalin NGAL (C87S mutant) in complex with fragment 1026, phenylurea

Summary for 3TZS

Related3T1D 3TF6
DescriptorNeutrophil gelatinase-associated lipocalin, 1-phenylurea, SULFATE ION, ... (6 entities in total)
Functional Keywordsstructural genomics, seattle structural genomics center for infectious disease, ssgcid, iron trafficking, lipocalin, siderocalin, fragment based drug design, fbdd, fragments of life, ebsi-01644, apoptosis
Biological sourceHomo sapiens (human)
Total number of polymer chains3
Total molecular weight64805.67
Seattle Structural Genomics Center for Infectious Disease (SSGCID) (deposition date: 2011-09-27, release date: 2011-10-12, Last modification date: 2019-02-13)
Primary citation
Clifton, M.C.,Rupert, P.B.,Hoette, T.M.,Raymond, K.N.,Abergel, R.J.,Strong, R.K.
Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be published, 7:-,
Experimental method
NMR Information

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.22440 3.7% 1.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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