6VLM
Core Catalytic Domain of HIV Integrase in complex with virtual screening hit
Summary for 6VLM
| Entry DOI | 10.2210/pdb6vlm/pdb |
| Descriptor | Integrase, [3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid (3 entities in total) |
| Functional Keywords | inhibitor, hydrolase, viral protein, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
| Biological source | Human immunodeficiency virus 1 |
| Total number of polymer chains | 2 |
| Total formula weight | 40058.76 |
| Authors | Klein, D.J.,Sanders, J.M. (deposition date: 2020-01-24, release date: 2020-05-13, Last modification date: 2024-03-06) |
| Primary citation | Yan, X.C.,Sanders, J.M.,Gao, Y.D.,Tudor, M.,Haidle, A.M.,Klein, D.J.,Converso, A.,Lesburg, C.A.,Zang, Y.,Wood, H.B. Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery. J.Chem.Inf.Model., 60:4144-4152, 2020 Cited by PubMed: 32309939DOI: 10.1021/acs.jcim.0c00113 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.32 Å) |
Structure validation
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