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: 31618032DOI: 10.1021/acs.jmedchem.9b01199 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.499 Å) |
Structure validation
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