6SZP

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

Summary for 6SZP

Entry DOI	10.2210/pdb6szp/pdb
Descriptor	N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, (1~{S})-~{N}'-(4-azanylbutyl)-~{N}"-(2-methoxyethyl)methanetriamine, GLYCEROL, ... (4 entities in total)
Functional Keywords	dimethylarginine dimethylaminohydrolase, guanidine inhibitor, induced fit, prodrug, hydrolase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	32942.78
Authors	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 Cited by PubMed: 31841335 DOI: 10.1021/acs.jmedchem.9b01230 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.76 Å)

Structure validation