2WON

Crystal Structure of UK-453061 bound to HIV-1 Reverse Transcriptase (wild-type).

Summary for 2WON

Related1ODW 1HVR 1RTH 1BWA 1REV 1BVG 1C0T 1S1X 1VRU 1RT5 1DMP 1BWB 1G6L 1TL1 1RT3 1BV9 1LWC 1RTJ 1S1T 1JLC 1T05 1HXB 1HVH 1JLQ 1JLA 1NCP 1JLG 1RT4 1FK9 1JLB 1RT6 1HWR 1RTD 1LW0 1QBS 1A30 1S1V 1EX4 1QBR 1EP4 1QBT 1C0U 1TKT 1O1W 1DTQ 1DTT 1JLF 1E6J 1S1U 1S1W 1RTI 1TKX 1FB7 1JKH 1QBU 1TL3 1LW2 3PHV 1JLE 1C1B 1RT7 1RT1 1LWE 1HIV 1KLM 1FKO 1RT2 1TKZ 1EXQ 1LV1 1ODY 1C1C 1ESK 1TAM 1BV7 1FKP 1VRT 1LWF 1BVE
DescriptorHIV-1 REVERSE TRANSCRIPTASE, 5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile (3 entities in total)
Functional Keywordsaids, non-nucleoside inhibitor, drug design, transferase, nnrti, sbdd
Biological sourceHUMAN IMMUNODEFICIENCY VIRUS 1
Cellular locationMatrix protein p17: Virion (Potential). Capsid protein p24: Virion (Potential). Nucleocapsid protein p7: Virion (Potential). Reverse transcriptase/ribonuclease H: Virion (Potential). Integrase: Virion (Potential) P04585 P04585
Total number of polymer chains2
Total molecular weight116272.35
Authors
Phillips, C.,Irving, S.L.,Knoechel, T.,Ringrose, H. (deposition date: 2009-07-27, release date: 2010-08-11, Last modification date: 2011-07-13)
Primary citation
Corbau, R.,Mori, J.,Phillips, C.,Fishburn, L.,Martin, A.,Mowbray, C.,Panton, W.,Smith-Burchnell, C.,Thornberry, A.,Ringrose, H.,Knoechel, T.,Irving, S.L.,Westby, M.,Wood, A.,Perros, M.
Lersivirine: A Non-Nucleoside Reverse Transcriptase Inhibitor with Activity Against Drug- Resistant Human Immunodeficiency Virus-1.
Antimicrob.Agents Chemother., 54:4451-, 2010
PubMed: 20660667 (PDB entries with the same primary citation)
DOI: 10.1128/AAC.01455-09
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.8 Å)
NMR Information
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Structure validation

ClashscoreRamachandran outliersSidechain outliersRSRZ outliers142.8%5.1%7.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution