PDBsum entry 5k9c

Oxidoreductase/oxidoreductase inhibitor

PDB id: 5k9c

Contents

Protein chain

355 a.a.

Ligands

FNR

ORO

MLJ

SO4 ×2

ACT ×3

GOL

Metals

_CL ×2

Waters ×345

PDB id:

5k9c

Name:

Oxidoreductase/oxidoreductase inhibitor

Title:

Crystal structure of human dihydroorotate dehydrogenase with ml390

Structure:

Dihydroorotate dehydrogenase (quinone), mitochondrial. Chain: a. Fragment: residues 29-395. Synonym: dhodehase,dihydroorotate oxidase. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: dhodh. Expressed in: escherichia coli. Expression_system_taxid: 562.

Resolution:

1.66Å R-factor: 0.132 R-free: 0.150

Authors:

T.A.Lewis,D.B.Sykes,J.M.Law,B.Munoz,D.T.Scadden,J.K.Rustiguel, M.C.Nonato,S.L.Schreiber

Key ref:

T.A.Lewis et al. (2016). Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia. Acs Med Chem Lett, 7, 1112-1117. PubMed id: 27994748 DOI: 10.1021/acsmedchemlett.6b00316

Date:

31-May-16 Release date: 12-Oct-16

Protein chain

Q02127  (PYRD_HUMAN) -  Dihydroorotate dehydrogenase (quinone), mitochondrial from Homo sapiens

Seq: 395 a.a.

Struc: 355 a.a.

Enzyme reactions

• Enzyme class: E.C.1.3.5.2 - dihydroorotate dehydrogenase (quinone).
• Reaction: (S)-dihydroorotate + a quinone = orotate + a quinol

(S)-dihydroorotate (Bound ligand (Het Group name = ORO) corresponds exactly) + quinone = orotate + quinol

• Cofactor: FMN

FMN (Bound ligand (Het Group name = FNR) corresponds exactly)

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

reference

DOI no: 10.1021/acsmedchemlett.6b00316

Acs Med Chem Lett 7:1112-1117 (2016)

PubMed id: 27994748

Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia.

T.A.Lewis, D.B.Sykes, J.M.Law, B.Muñoz, J.K.Rustiguel, M.C.Nonato, D.T.Scadden, S.L.Schreiber.

ABSTRACT

No abstract given.