3KVM

Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 951 at 2.00A resolution

Summary for 3KVM

Entry DOI	10.2210/pdb3kvm/pdb
Related	3KVJ 3KVK 3KVL
Descriptor	Dihydroorotate dehydrogenase, mitochondrial, SULFATE ION, FLAVIN MONONUCLEOTIDE, ... (8 entities in total)
Functional Keywords	protein-antiproliferative agent complex, oxidoreductase, flavoprotein, fmn, membrane, mitochondrion, mitochondrion inner membrane, polymorphism, pyrimidine biosynthesis, transit peptide, transmembrane
Biological source	Homo sapiens (human)
Cellular location	Mitochondrion inner membrane ; Single-pass membrane protein : Q02127
Total number of polymer chains	1
Total formula weight	43962.11
Authors	McLean, L.,Zhang, Y. (deposition date: 2009-11-30, release date: 2010-03-02, Last modification date: 2023-09-06)
Primary citation	McLean, L.R.,Zhang, Y.,Degnen, W.,Peppard, J.,Cabel, D.,Zou, C.,Tsay, J.T.,Subramaniam, A.,Vaz, R.J.,Li, Y. Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures. Bioorg.Med.Chem.Lett., 20:1981-1984, 2010 Cited by PubMed Abstract: Amino-benzoic acid derivatives 1-4 were found to be inhibitors for DHODH by virtual screening, biochemical, and X-ray crystallographic studies. X-ray structures showed that 1 and 2 bind to DHODH as predicted by virtual screening, but 3 and 4 were found to be structurally different from the corresponding compounds initially identified by virtual screening. PubMed: 20153645 DOI: 10.1016/j.bmcl.2010.01.115 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation