6RQD

CYP121 in complex with 3-chloro dicyclotyrosine

Summary for 6RQD

Entry DOI	10.2210/pdb6rqd/pdb
Descriptor	Mycocyclosin synthase, SULFATE ION, (3~{S},6~{S})-3-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, ... (5 entities in total)
Functional Keywords	cyp121, p450, dicyclotyrosine derivatives, heme, oxidoreductase
Biological source	Mycobacterium tuberculosis
Total number of polymer chains	1
Total formula weight	44571.33
Authors	Poddar, H.,Levy, C. (deposition date: 2019-05-15, release date: 2020-04-22, Last modification date: 2024-01-24)
Primary citation	Rajput, S.,McLean, K.J.,Poddar, H.,Selvam, I.R.,Nagalingam, G.,Triccas, J.A.,Levy, C.W.,Munro, A.W.,Hutton, C.A. Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62:9792-9805, 2019 Cited by PubMed: 31618032 DOI: 10.1021/acs.jmedchem.9b01199 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.499 Å)

Structure validation