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Structure paper

TitleStructure of cytochrome in complex with Q203 and TB47, two anti-TB drug candidates.
Journal, issue, pagesElife, Vol. 10, Year 2021
Publish dateNov 25, 2021
AuthorsShan Zhou / Weiwei Wang / Xiaoting Zhou / Yuying Zhang / Yuezheng Lai / Yanting Tang / Jinxu Xu / Dongmei Li / Jianping Lin / Xiaolin Yang / Ting Ran / Hongming Chen / Luke W Guddat / Quan Wang / Yan Gao / Zihe Rao / Hongri Gong /
PubMed AbstractPathogenic mycobacteria pose a sustained threat to global human health. Recently, cytochrome complexes have gained interest as targets for antibiotic drug development. However, there is currently no ...Pathogenic mycobacteria pose a sustained threat to global human health. Recently, cytochrome complexes have gained interest as targets for antibiotic drug development. However, there is currently no structural information for the cytochrome complex from these pathogenic mycobacteria. Here, we report the structures of cytochrome alone (2.68 Å resolution) and in complex with clinical drug candidates Q203 (2.67 Å resolution) and TB47 (2.93 Å resolution) determined by single-particle cryo-electron microscopy. cytochrome forms a dimeric assembly with endogenous menaquinone/menaquinol bound at the quinone/quinol-binding pockets. We observe Q203 and TB47 bound at the quinol-binding site and stabilized by hydrogen bonds with the side chains of Thr and Glu, residues that are conserved across pathogenic mycobacteria. These high-resolution images provide a basis for the design of new mycobacterial cytochrome inhibitors that could be developed into broad-spectrum drugs to treat mycobacterial infections.
External linksElife / PubMed:34819223 / PubMed Central
MethodsEM (single particle)
Resolution2.67 - 2.93 Å
Structure data

30943

7e1v

EMDB-30943, PDB-7e1v:
Cryo-EM structure of apo hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV
Method: EM (single particle) / Resolution: 2.68 Å

30944

7e1w

EMDB-30944, PDB-7e1w:
Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in the presence of Q203
Method: EM (single particle) / Resolution: 2.67 Å

30945

7e1x

EMDB-30945, PDB-7e1x:
Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in presence of TB47
Method: EM (single particle) / Resolution: 2.93 Å

Chemicals

ChemComp-CU:
COPPER (II) ION

ChemComp-CDL:
CARDIOLIPIN / phospholipid*YM

ChemComp-PLM:
PALMITIC ACID

ChemComp-HEA:
HEME-A

ChemComp-9Y0:
(2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-MQ9:
MENAQUINONE-9

ChemComp-FES:
FE2/S2 (INORGANIC) CLUSTER

ChemComp-9YF:
(2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate

ChemComp-HEC:
HEME C

ChemComp-HUU:
6-chloranyl-2-ethyl-N-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

ChemComp-HOH:
WATER

ChemComp-HV0:
5-methoxy-2-methyl-~{N}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide

Source
  • mycolicibacterium smegmatis mc2 51 (bacteria)
  • mycobacterium tuberculosis h37rv (bacteria)
  • mycobacterium smegmatis mc2 51 (bacteria)
  • Mycolicibacterium smegmatis MC2 155 (bacteria)
KeywordsOXIDOREDUCTASE / Mycobacterium smegmatis / mycobacterium tuberculosis / complexIII / complexIV / electron transport / anti-TB drugs

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