UniProt P04585
HIV-1 reverse transcriptase (P04585)
HIV-1 reverse transcriptase (UniProt P04585), EC 2.7.7.-, 2.7.7.49: 351 experimental structures on GenesisL1, 110 ligands bound, 3,099 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- P04585
- Protein
- HIV-1 reverse transcriptase
- EC
- 2.7.7.-, 2.7.7.49, 2.7.7.7, 3.1.-.-, 3.1.13.2, 3.1.26.13, 3.1.26.4, 3.4.23.16
- Experimental structures
- 351
- Predicted models
- 0
- Ligands
- 110
- Pockets
- 3,099 · 250 records with a druggable one
Structures
351 records of P04585 in the MolNFT archive: 351 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1A30 | HIV-1 protease complexed with a tripeptide inhibitor | x-ray diffraction | A, B | — | 1 (best 0.63) |
| 1A30 | HIV-1 protease complexed with a tripeptide inhibitor | x-ray diffraction | A, B | — | 1 (best 0.63) |
| 1BV7 | Counteracting HIV-1 protease drug resistance: structural analysis of mutant proteases complexed… | x-ray diffraction | A, B | XV6 | 1 (best 0.71) |
| 1BV7 | Counteracting HIV-1 protease drug resistance: structural analysis of mutant proteases complexed… | x-ray diffraction | A, B | XV6 | 1 (best 0.71) |
| 1BV9 | HIV-1 protease (I84V) complexed with XV638 of dupont pharmaceuticals | x-ray diffraction | A, B | XV6 | 1 (best 0.69) |
| 1BV9 | HIV-1 protease (I84V) complexed with XV638 of dupont pharmaceuticals | x-ray diffraction | A, B | XV6 | 1 (best 0.69) |
| 1BVE | HIV-1 protease-DMP323 complex in solution, NMR, 28 structures | solution nmr | A, B | DMP | 1 (best 0.65) |
| 1BVE | HIV-1 protease-DMP323 complex in solution, NMR, 28 structures | solution nmr | A, B | DMP | 1 (best 0.65) |
| 1BVG | HIV-1 protease-DMP323 complex in solution, NMR minimized average structure | solution nmr | A, B | DMP | 1 (best 0.63) |
| 1BVG | HIV-1 protease-DMP323 complex in solution, NMR minimized average structure | solution nmr | A, B | DMP | 1 (best 0.63) |
| 1BWA | HIV-1 protease (V82F/I84V) double mutant complexed with XV638 of dupont pharmaceuticals | x-ray diffraction | A, B | XV6 | 1 (best 0.69) |
| 1BWA | HIV-1 protease (V82F/I84V) double mutant complexed with XV638 of dupont pharmaceuticals | x-ray diffraction | A, B | XV6 | 1 (best 0.69) |
| 1BWB | HIV-1 protease (V82F/I84V) double mutant complexed with SD146 of dupont pharmaceuticals | x-ray diffraction | A, B | 146 | 1 (best 0.69) |
| 1BWB | HIV-1 protease (V82F/I84V) double mutant complexed with SD146 of dupont pharmaceuticals | x-ray diffraction | A, B | 146 | 1 (best 0.69) |
| 1C0T | Crystal structure of HIV-1 reverse transcriptase in complex with BM+21.1326 | x-ray diffraction | A, B | BM1 | 13 (best 0.80) |
| 1C0T | Crystal structure of HIV-1 reverse transcriptase in complex with BM+21.1326 | x-ray diffraction | A, B | BM1 | 13 (best 0.80) |
| 1C0U | Crystal structure of HIV-1 reverse transcriptase in complex with BM+50.0934 | x-ray diffraction | A, B | BM5 | 15 (best 0.79) |
| 1C0U | Crystal structure of HIV-1 reverse transcriptase in complex with BM+50.0934 | x-ray diffraction | A, B | BM5 | 15 (best 0.79) |
| 1C1B | Crystal structure of HIV-1 reverse transcriptase in complex with gca-186 | x-ray diffraction | A, B | GCA | 14 (best 0.79) |
| 1C1B | Crystal structure of HIV-1 reverse transcriptase in complex with gca- 186 | x-ray diffraction | A, B | GCA | 14 (best 0.79) |
| 1C1C | Crystal structure of HIV-1 reverse transcriptase in complex with tnk-6123 | x-ray diffraction | A, B | 612 | 16 (best 0.80) |
| 1C1C | Crystal structure of HIV-1 reverse transcriptase in complex with tnk- 6123 | x-ray diffraction | A, B | 612 | 16 (best 0.80) |
| 1DMP | Structure of HIV-1 protease complex | x-ray diffraction | A, B | DMQ | 1 (best 0.71) |
| 1DMP | Structure of HIV-1 protease complex | x-ray diffraction | A, B | DMQ | 1 (best 0.71) |
| 1DTQ | Crystal structure of HIV-1 reverse transcriptase in complex with pett-1 (PETT131A94) | x-ray diffraction | A, B | FPT | 18 (best 0.77) |
| 1DTQ | Crystal structure of HIV-1 reverse transcriptase in complex with pett- 1 (PETT131A94) | x-ray diffraction | A, B | FPT | 18 (best 0.77) |
| 1DTT | Crystal structure of HIV-1 reverse transcriptase in complex with pett-2 (PETT130A94) | x-ray diffraction | A, B | FTC | 12 (best 0.80) |
| 1DTT | Crystal structure of HIV-1 reverse transcriptase in complex with pett- 2 (PETT130A94) | x-ray diffraction | A, B | FTC | 12 (best 0.80) |
| 1EP4 | Crystal structure of HIV-1 reverse transcriptase in complex with S-1153 | x-ray diffraction | A, B | S11 | 18 (best 0.75) |
| 1EP4 | Crystal structure of HIV-1 reverse transcriptase in complex with S- 1153 | x-ray diffraction | A, B | S11 | 18 (best 0.75) |
| 1ESK | Solution structure of NCP7 from HIV-1 | solution nmr | A | ZN | — |
| 1ESK | Solution structure of NCP7 from HIV-1 | solution nmr | A | ZN | — |
| 1EX4 | HIV-1 integrase catalytic core and C-terminal domain | x-ray diffraction | A, B | CPS | 5 (best 0.60) |
| 1EX4 | HIV-1 integrase catalytic core and C-terminal domain | x-ray diffraction | A, B | CPS | 5 (best 0.60) |
| 1EXQ | Crystal structure of the HIV-1 integrase catalytic core domain | x-ray diffraction | A, B | CD, CL, SO4 | 5 (best 0.48) |
| 1EXQ | Crystal structure of the HIV-1 integrase catalytic core domain | x-ray diffraction | A, B | CD, CL, SO4 | 5 (best 0.48) |
| 1FK9 | Crystal structure of HIV-1 reverse transcriptase in complex with dmp-266(EFAVIRENZ) | x-ray diffraction | A, B | EFZ | 13 (best 0.79) |
| 1FK9 | Crystal structure of HIV-1 reverse transcriptase in complex with dmp- 266(EFAVIRENZ) | x-ray diffraction | A, B | EFZ | 13 (best 0.79) |
| 1FKO | Crystal structure of nnrti resistant K103N mutant HIV-1 reverse transcriptase in complex with… | x-ray diffraction | A, B | EFZ | 16 (best 0.81) |
| 1FKO | Crystal structure of nnrti resistant K103N mutant HIV-1 reverse transcriptase in complex with… | x-ray diffraction | A, B | EFZ | 16 (best 0.81) |
| 1FKP | Crystal structure of nnrti resistant K103N mutant HIV-1 reverse transcriptase in complex with… | x-ray diffraction | A, B | NVP | 17 (best 0.78) |
| 1FKP | Crystal structure of nnrti resistant K103N mutant HIV-1 reverse transcriptase in complex with… | x-ray diffraction | A, B | NVP | 17 (best 0.78) |
| 1G6L | 1.9A crystal structure of tethered HIV-1 protease | x-ray diffraction | A | — | 1 (best 0.70) |
| 1G6L | 1.9A crystal structure of tethered HIV-1 protease | x-ray diffraction | A | — | 1 (best 0.70) |
| 1HIV | Crystal structure of a complex of HIV-1 protease with a dihydroethylene-containing inhibitor… | x-ray diffraction | A, B | 1ZK | 1 (best 0.69) |
| 1HIV | Crystal structure of a complex of HIV-1 protease with a dihydroethylene-containing inhibitor… | x-ray diffraction | A, B | 1ZK | 1 (best 0.69) |
| 1HVH | Nonpeptide cyclic cyanoguanidines as HIV protease inhibitors | x-ray diffraction | A, B | Q82 | 1 (best 0.70) |
| 1HVH | Nonpeptide cyclic cyanoguanidines as HIV protease inhibitors | x-ray diffraction | A, B | Q82 | 1 (best 0.70) |
| 1HVR | Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors | x-ray diffraction | A, B | XK2 | 1 (best 0.70) |
| 1HVR | Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors | x-ray diffraction | A, B | XK2 | 1 (best 0.70) |
| 1HWR | Molecular recognition of cyclic urea HIV protease inhibitors | x-ray diffraction | A, B | 216 | 1 (best 0.67) |
| 1HWR | Molecular recognition of cyclic urea HIV protease inhibitors | x-ray diffraction | A, B | 216 | 1 (best 0.67) |
| 1HXB | HIV-1 proteinase complexed with RO 31-8959 | x-ray diffraction | A, B | ROC | 1 (best 0.71) |
| 1HXB | HIV-1 proteinase complexed with ro 31-8959 | x-ray diffraction | A, B | ROC | 1 (best 0.71) |
| 1JKH | Crystal structure of Y181C mutant HIV-1 reverse transcriptase in complex with dmp-266(EFAVIRENZ) | x-ray diffraction | A, B | EFZ | 13 (best 0.78) |
| 1JKH | Crystal structure of Y181C mutant HIV-1 reverse transcriptase in complex with dmp-266(EFAVIRENZ) | x-ray diffraction | A, B | EFZ | 13 (best 0.78) |
| 1JLA | Crystal structure of Y181C mutant HIV-1 reverse transcriptase in complex with tnk-651 | x-ray diffraction | A, B | TNK | 15 (best 0.80) |
| 1JLA | Crystal structure of Y181C mutant HIV-1 reverse transcriptase in complex with tnk-651 | x-ray diffraction | A, B | TNK | 15 (best 0.80) |
| 1JLB | Crystal structure of Y181C mutant HIV-1 reverse transcriptase in complex with nevirapine | x-ray diffraction | A, B | NVP | 13 (best 0.81) |
| 1JLB | Crystal structure of Y181C mutant HIV-1 reverse transcriptase in complex with nevirapine | x-ray diffraction | A, B | NVP | 13 (best 0.81) |
291 records more on the page itself.
Ligands
- MG · Magnesium ion · in 59 records
- SO4 · Sulfate ion · in 47 records
- PO4 · Phosphate ion · in 43 records
- NVP · 11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-B:2',3'-e][1,4]diazepin-6-one · in 28 records
- CL · Chloride ion · in 8 records
- HBQ · Isopropyl (2S)-2-ethyl-7-fluoro-3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate · in 8 records
- UC1 · 2-methyl-furan-3-carbothioic acid [4-chloro-3-(3-methyl-but-2-enyloxy)-phenyl]-amide · in 8 records
- XV6 · [4R-(4alpha,5alpha,6beta,7beta)]-3,3'-[[tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-D iyl] bis(methylene)]bis[n-2-thiazolylbenzamide] · in 8 records
- EFZ · (-)-6-chloro-4-cyclopropylethynyl-4-trifluoromethyl-1, 4-dihydro-2H-3,1-benzoxazin-2-one · in 7 records
- MN · Manganese (II) ion · in 7 records
- 1RY · [[(2R,5S)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate · in 6 records
- DCP · 2'-deoxycytidine-5'-triphosphate · in 6 records
- DMP · [4-R-(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-[1,3-bis([4-hydroxymethyl-phenyl]methyl)-4,7-bis(phen ylmethyl)]-2H-1,3-diazepinone · in 6 records
- TNK · 6-benzyl-1-benzyloxymethyl-5-isopropyl uracil · in 6 records
- U05 · 6,11-dihydro-11-ethyl-6-methyl-9-nitro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one · in 6 records
- 0E8 · di-tert-butyl {iminobis[(2S,3S)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate · in 4 records
- 146 · [4R-(4alpha,5alpha,6alpha,7alpha)]-3,3'-{{tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)]bis[n-1H-benzimidazol-2-ylbenzamide] · in 4 records
- 65P · (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid · in 4 records
- D4T · 2',3'-dehydro-2',3'-deoxy-thymidine 5'-triphosphate · in 4 records
- FTC · N-[[3-fluoro-4-ethoxy-pyrid-2-yl]ethyl]-N'-[5-chloro-pyridyl]-thiourea · in 4 records
- N8G · [[(2~{S},5~{R})-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate · in 4 records
- WHU · 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide · in 4 records
- ZN · Zinc ion · in 4 records
- ZZE · 5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile · in 4 records
- 65B · 4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile · in 3 records
- GWE · N-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide · in 3 records
- ROC · (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide · in 3 records
- 1RZ · Lamivudine Triphosphate · in 2 records
- 1ZK · 4-[(2R)-3-{[(1S,2S,3R,4S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1S,2R)-2-methyl-1-[(pyridin-2-ylmethyl)carba moyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1H-imidazol-3-ium · in 2 records
- 216 · [4-R-(4-alpha,6-beta,7-beta]-hexahydro-5,6-di(hydroxy)-1,3-di(allyl)-4,7-bisphenylmethyl)-2H-1,3-diazepinone · in 2 records
Experiment against prediction
- 3QIN chain A against the predicted model P0A7Y4: TM-score 0.79, RMSD 2.48 Å
- 3QIO chain A against the predicted model P0A7Y4: TM-score 0.78, RMSD 2.37 Å
Elsewhere
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.