UniProt Q76353
Integrase (Q76353)
Integrase (UniProt Q76353), EC 2.7.7.-: 188 experimental structures on GenesisL1, 25 ligands bound, 4 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- Q76353
- Protein
- Integrase
- EC
- 2.7.7.-
- Experimental structures
- 188
- Predicted models
- 0
- Ligands
- 25
- Pockets
- 4 · 1 record with a druggable one
Structures
188 records of Q76353 in the MolNFT archive: 188 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1BIZ | HIV-1 integrase core domain | x-ray diffraction | A, B | — | — |
| 1BIZ | HIV-1 integrase core domain | x-ray diffraction | A, B | — | — |
| 1HYV | HIV integrase core domain complexed with tetraphenyl arsonium | x-ray diffraction | A | — | — |
| 1HYV | HIV integrase core domain complexed with tetraphenyl arsonium | x-ray diffraction | A | — | — |
| 1HYZ | HIV integrase core domain complexed with a derivative of tetraphenyl arsonium. | x-ray diffraction | A | — | — |
| 1HYZ | HIV integrase core domain complexed with a derivative of tetraphenyl arsonium. | x-ray diffraction | A | — | — |
| 1QS4 | Core domain of HIV-1 integrase complexed with Mg++ and… | x-ray diffraction | A, B, C | — | — |
| 1QS4 | Core domain of HIV-1 integrase complexed with mg++ and 1-(5… | x-ray diffraction | A, B, C | — | — |
| 3LPT | HIV integrase | x-ray diffraction | A | — | — |
| 3LPT | HIV integrase | x-ray diffraction | A | — | — |
| 3LPU | HIV integrase | x-ray diffraction | A | — | — |
| 3LPU | HIV integrase | x-ray diffraction | A | — | — |
| 3NF6 | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3NF6 | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3NF7 | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3NF7 | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3NF8 | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3NF8 | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3NF9 | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3NF9 | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3NFA | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3NFA | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZCM | Small molecule inhibitors of the LEDGF site of HIV integrase identified by fragment screening and… | x-ray diffraction | A, B | — | — |
| 3ZCM | Small molecule inhibitors of the ledgf site of HIV integrase identified by fragment screening and… | x-ray diffraction | A, B | — | — |
| 3ZSO | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZSO | Small molecule inhibitors of the ledgf site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZSQ | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZSQ | Small molecule inhibitors of the ledgf site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZSR | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZSR | Small molecule inhibitors of the ledgf site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZSV | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZSV | Small molecule inhibitors of the ledgf site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZSW | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZSW | Small molecule inhibitors of the ledgf site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZSX | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZSX | Small molecule inhibitors of the ledgf site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZSY | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZSY | Small molecule inhibitors of the ledgf site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZSZ | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZSZ | Small molecule inhibitors of the ledgf site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZT0 | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZT0 | Small molecule inhibitors of the ledgf site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZT1 | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZT1 | Small molecule inhibitors of the ledgf site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZT2 | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZT2 | Small molecule inhibitors of the ledgf site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZT3 | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZT3 | Small molecule inhibitors of the ledgf site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZT4 | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 3ZT4 | Small molecule inhibitors of the ledgf site of HIV type 1 integrase identified by fragment… | x-ray diffraction | A, B | — | — |
| 4CE9 | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | x-ray diffraction | A, B | — | — |
| 4CE9 | Interrogating HIV integrase for compounds that bind- a sampl challenge | x-ray diffraction | A, B | — | — |
| 4CEA | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | x-ray diffraction | A, B | — | — |
| 4CEA | Interrogating HIV integrase for compounds that bind- a sampl challenge | x-ray diffraction | A, B | — | — |
| 4CEB | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | x-ray diffraction | A, B | — | — |
| 4CEB | Interrogating HIV integrase for compounds that bind- a sampl challenge | x-ray diffraction | A, B | — | — |
| 4CEC | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | x-ray diffraction | A, B | — | — |
| 4CEC | Interrogating HIV integrase for compounds that bind- a sampl challenge | x-ray diffraction | A, B | — | — |
| 4CED | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | x-ray diffraction | A, B | — | — |
| 4CED | Interrogating HIV integrase for compounds that bind- a sampl challenge | x-ray diffraction | A, B | — | — |
128 records more on the page itself.
Ligands
- SO4 · Sulfate ion · in 17 records
- IOD · Iodide ion · in 8 records
- MG · Magnesium ion · in 6 records
- ZN · Zinc ion · in 5 records
- 6I2 · {2-[(3-{[4-(2-{[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)methyl]amino}ethyl) piperazin-1-yl]methyl}phenyl)ethynyl]-5-methyl-1-benzofuran-3-yl}acetic acid · in 2 records
- 6W6 · 3-[2,5-bis(chloranyl)pyrrol-1-yl]thiophene-2-carboxylic acid · in 2 records
- 7SK · (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid · in 2 records
- ARS · Arsenic · in 2 records
- KZD · (2S)-tert-butoxy[(4S)-7-(4,4-dimethylpiperidin-1-yl)-8-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,5-dimethylimidazo[1,2-a]pyridin-6-yl]acetic acid · in 2 records
- XFS · 3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid · in 2 records
- YAV · 2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcar bamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid · in 2 records
- 6XI · 3-pyrrol-1-ylthiophene-2-carboxylic acid · in 1 record
- CA · Calcium ion · in 1 record
- DLU · (4r,12as)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6, 8-dioxo-3,4,6,8,12,12A-hexahydro-2H-pyrido[1',2':4, 5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide · in 1 record
- GE7 · (2S)-tert-butoxy[2-methyl-4-(4-methylphenyl)quinolin-3-yl]acetic acid · in 1 record
- GEI · (2S)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid · in 1 record
- KLQ · Bictegravir · in 1 record
- O20 · (2S)-tert-butoxy[(5m)-5-{2-[(2-chloro-6-methylphenyl) methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl}-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid · in 1 record
- OZ1 · 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide · in 1 record
- QCG · (2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid · in 1 record
- QD6 · (2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid · in 1 record
- QUW · 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide · in 1 record
- R2A · (2-{[3-(4-{2-[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzene-1-carbonyl) amino]ethyl}piperazine-1-carbonyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid · in 1 record
- R7J · [5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid · in 1 record
- XXJ · 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-[2-(phenylsulfonyl)ethyl]-1,8-naphthyridine-3-carboxamide · in 1 record
Experiment against prediction
- 6PUT chain D against the predicted model P39476: TM-score 0.51, RMSD 2.98 Å
- 6V3K chain D against the predicted model P39476: TM-score 0.51, RMSD 2.83 Å
- 6PUY chain D against the predicted model P39476: TM-score 0.50, RMSD 3.00 Å
- 6PUW chain D against the predicted model P39476: TM-score 0.50, RMSD 2.69 Å
- 6PUZ chain D against the predicted model P39476: TM-score 0.50, RMSD 2.74 Å
- 6V3K chain C against the predicted model P39476: TM-score 0.43, RMSD 2.98 Å
- 6PUY chain C against the predicted model P39476: TM-score 0.42, RMSD 2.96 Å
- 6PUW chain C against the predicted model P39476: TM-score 0.42, RMSD 2.98 Å
- 6PUZ chain C against the predicted model P39476: TM-score 0.42, RMSD 3.01 Å
- 6PUT chain C against the predicted model P39476: TM-score 0.43, RMSD 3.08 Å
Elsewhere
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