6R9W
Crystal structure of InhA in complex with AP-124 inhibitor
Summary for 6R9W
Entry DOI | 10.2210/pdb6r9w/pdb |
Descriptor | Enoyl-[acyl-carrier-protein] reductase [NADH], (2~{S})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{H}-inden-5-yloxy)propan-2-ol, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... (4 entities in total) |
Functional Keywords | inhibitor, complex, oxidoreductase, antibiotic resistance |
Biological source | Mycobacterium tuberculosis H37Rv |
Total number of polymer chains | 6 |
Total formula weight | 177311.27 |
Authors | Takebayashi, Y.,Hinchliffe, P.,Spencer, J. (deposition date: 2019-04-04, release date: 2019-12-25, Last modification date: 2024-01-24) |
Primary citation | Kamsri, P.,Hanwarinroj, C.,Phusi, N.,Pornprom, T.,Chayajarus, K.,Punkvang, A.,Suttipanta, N.,Srimanote, P.,Suttisintong, K.,Songsiriritthigul, C.,Saparpakorn, P.,Hannongbua, S.,Rattanabunyong, S.,Seetaha, S.,Choowongkomon, K.,Sureram, S.,Kittakoop, P.,Hongmanee, P.,Santanirand, P.,Chen, Z.,Zhu, W.,Blood, R.A.,Takebayashi, Y.,Hinchliffe, P.,Mulholland, A.J.,Spencer, J.,Pungpo, P. Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography. J.Chem.Inf.Model., 60:226-234, 2020 Cited by PubMed: 31820972DOI: 10.1021/acs.jcim.9b00918 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.75 Å) |
Structure validation
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