High resolution crystal structure of human DDAH-1 in complex with N-(4-Aminobutyl)-N'-(2-Methoxyethyl)guanidine

Summary for 6SZP

DescriptorN(G),N(G)-dimethylarginine dimethylaminohydrolase 1, (1~{S})-~{N}'-(4-azanylbutyl)-~{N}"-(2-methoxyethyl)methanetriamine, GLYCEROL, ... (4 entities in total)
Functional Keywordsdimethylarginine dimethylaminohydrolase, guanidine inhibitor, induced fit, prodrug, hydrolase
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight32942.78
Hennig, S.,Vetter, I.R.,Schade, D. (deposition date: 2019-10-02, release date: 2019-12-25, Last modification date: 2020-01-22)
Primary citation
Lunk, I.,Litty, F.A.,Hennig, S.,Vetter, I.R.,Kotthaus, J.,Altmann, K.S.,Ott, G.,Havemeyer, A.,Carillo Garcia, C.,Clement, B.,Schade, D.
Discovery ofN-(4-Aminobutyl)-N'-(2-methoxyethyl)guanidine as the First Selective, Nonamino Acid, Catalytic Site Inhibitor of Human Dimethylarginine Dimethylaminohydrolase-1 (hDDAH-1).
J.Med.Chem., 63:425-432, 2020
PubMed: 31841335 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.9b01230
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.23060 0.4% 4.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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