[A2][abc]
- Classes: All beta proteins
- Folds: Acid proteases
- Superfamilies: Acid proteases
- Families: Retroviral protease (retropepsin)
- Protein Domains: Human immunodeficiency virus type 1 protease
- Species: Human immunodeficiency virus 1 [TaxId: 11676]
PDB Entries
PDB ID | OPM | Mutant | Chain Formula | Resolution | HETNAM | ||
---|---|---|---|---|---|---|---|
Amino Acid sequence | SCOPe Family Level | CATH Homology Level | |||||
1yt9 | [A2] | [A2] | [A2] | 3 | OIS:(S)-N-((2S,3R)-3-HYDROXY-4-(4-((E)-(HYDROXYIMINO)METHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YL)-3-METHYL-2-(3-((2-METHYLTHIAZOL-4-YL)METHYL)-2-OXOIMIDAZOLIDIN-1-YL)BUTANAMIDE | ||
2avq | [A2] | [A2] | [A2] | 1.3 | 2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE DMS:DIMETHYL SULFOXIDE GOL:GLYCEROL | ||
2nxl | [A2][a] | [A2][a] | [A2][a] | 2 | PO4:PHOSPHATE ION | ||
2qak | [A2] | [A2] | [A2] | 2.2 | 1UN:2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE | ||
2qmp | [A2] | [A2] | [A2] | 1.8 | A00:N-[(5S)-5-{[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO}-6-HYDROXYHEXYL]-NALPHA-(METHOXYCARBONYL)-BETA-PHENYL-L-PHENYLALANINAMIDE | ||
2r8n | [A2] | [A2] | [A2] | 1.2 | GOL:GLYCEROL | ||
3b7v | [A2][a] | [A2][a] | [A2][a] | 1.46 | CL:CHLORIDE ION GOL:GLYCEROL LNT:N-[(2S)-2-AMINO-1,1-DIHYDROXY-4-METHYLPENTYL]-L-THREONINE NA:SODIUM ION | ||
3b80 | [A2][a] | [A2][a] | [A2][a] | 1.5 | CL:CHLORIDE ION LNT:N-[(2S)-2-AMINO-1,1-DIHYDROXY-4-METHYLPENTYL]-L-THREONINE NA:SODIUM ION | ||
3d3t | [A2][a] | [A2][a] | [A2][a] | 2.8 | |||
3ggv | [A2] | [A2] | [A2] | 3.09 | GGV:METHYL [(1S)-1-{[(1R,3S,4S)-3-HYDROXY-4-{[(2S)-2-(3-{[6-(1-HYDROXY-1-METHYLETHYL)PYRIDIN-2-YL]METHYL}-2-OXO-2,3-DIHYDRO-1H-IMIDAZOL-1-YL)-3,3-DIMETHYLBUTANOYL]AMINO}-5-PHENYL-1-(4-PYRIDIN-2-YLBENZYL)PENTYL]CARBAMOYL}-2,2-DIMETHYLPROPYL]CARBAMATE | ||
3ixo | [A2] | [A2] | [A2] | 1.7 | |||
3nls | [A2] | [A2] | [A2] | 1.7 | 016:(4R)-3-[(2R,3S)-3-{[(2,6-DIMETHYLPHENOXY)ACETYL]AMINO}-2-HYDROXY-4-PHENYLBUTANOYL]-N-[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE DMS:DIMETHYL SULFOXIDE GOL:GLYCEROL URE:UREA | ||
3o99 | [A2] | [A2] | [A2] | 1.95 | ACT:ACETATE ION K13:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-{[(4-AMINOPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]CARBAMATE PO4:PHOSPHATE ION | ||
3o9a | [A2] | [A2] | [A2] | 1.9 | K14:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}PROPYL]CARBAMATE PO4:PHOSPHATE ION | ||
3o9b | [A2] | [A2] | [A2] | 1.5 | ACT:ACETATE ION GOL:GLYCEROL K2A:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-({[4-(HYDROXYMETHYL)PHENYL]SULFONYL}[(2S)-2-METHYLBUTYL]AMINO)PROPYL]CARBAMATE PO4:PHOSPHATE ION | ||
3o9c | [A2] | [A2] | [A2] | 1.85 | K20:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-{(1,3-BENZODIOXOL-5-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]CARBAMATE | ||
3o9d | [A2] | [A2] | [A2] | 1.85 | ACT:ACETATE ION K19:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]CARBAMATE PO4:PHOSPHATE ION | ||
3o9e | [A2] | [A2] | [A2] | 1.5 | A60:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-{[(4-AMINOPHENYL)SULFONYL](2-ETHYLBUTYL)AMINO}-1-BENZYL-2-HYDROXYPROPYL]CARBAMATE ACT:ACETATE ION PO4:PHOSPHATE ION | ||
3o9f | [A2] | [A2] | [A2] | 1.7 | ACT:ACETATE ION K2D:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-3-{(2-ETHYLBUTYL)[(4-METHOXYPHENYL)SULFONYL]AMINO}-2-HYDROXYPROPYL]CARBAMATE PO4:PHOSPHATE ION | ||
3o9g | [A2] | [A2] | [A2] | 1.65 | F53:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL {(1S,2R)-1-BENZYL-3-[(2-ETHYLBUTYL){[4-(HYDROXYMETHYL)PHENYL]SULFONYL}AMINO]-2-HYDROXYPROPYL}CARBAMATE PO4:PHOSPHATE ION | ||
3o9h | [A2] | [A2] | [A2] | 1.7 | ACT:ACETATE ION K2E:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL {(1S,2R)-3-[(1,3-BENZODIOXOL-5-YLSULFONYL)(2-ETHYLBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}CARBAMATE PO4:PHOSPHATE ION | ||
3o9i | [A2] | [A2] | [A2] | 1.45 | A61:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL {(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(2-ETHYLBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}CARBAMATE PO4:PHOSPHATE ION | ||
3r4b | [A2] | [A2] | [A2] | 1.9 | 74T:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL {(2S,3R)-4-[({2-[(1-CYCLOPENTYLPIPERIDIN-4-YL)AMINO]-1,3-BENZOTHIAZOL-6-YL}SULFONYL)(2-METHYLPROPYL)AMINO]-3-HYDROXY-1-PHENYLBUTAN-2-YL}CARBAMATE PO4:PHOSPHATE ION | ||
3sa3 | [A2] | [A2] | [A2] | 1.65 | 23X:N~2~-ACETYL-N-[(2S,3R)-4-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]-L-ISOLEUCINAMIDE ACT:ACETATE ION PO4:PHOSPHATE ION | ||
3sa4 | [A2] | [A2] | [A2] | 1.8 | ACT:ACETATE ION F72:N-{(2S,3R)-4-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(CYCLOHEXYLMETHYL)AMINO]-3-HYDROXY-1-PHENYLBUTAN-2-YL}-3-HYDROXYBENZAMIDE PO4:PHOSPHATE ION | ||
3sa5 | [A2] | [A2] | [A2] | 1.65 | A69:N-{(2S,3R)-4-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(3-PHENYLPROPYL)AMINO]-3-HYDROXY-1-PHENYLBUTAN-2-YL}-3-HYDROXYBENZAMIDE ACT:ACETATE ION PO4:PHOSPHATE ION | ||
3sa6 | [A2] | [A2] | [A2] | 1.75 | F71:3-HYDROXY-N-[(2S,3R)-3-HYDROXY-4-([(2S)-2-METHYLBUTYL]{[5-(1,2-OXAZOL-5-YL)THIOPHEN-2-YL]SULFONYL}AMINO)-1-PHENYLBUTAN-2-YL]BENZAMIDE PO4:PHOSPHATE ION | ||
3sa7 | [A2] | [A2] | [A2] | 1.5 | 55A:N~2~-ACETYL-N-[(2S,3R)-4-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]-L-LEUCINAMIDE PO4:PHOSPHATE ION | ||
3sa8 | [A2] | [A2] | [A2] | 1.5 | ACT:ACETATE ION K83:3-HYDROXY-N-[(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]BENZAMIDE PO4:PHOSPHATE ION | ||
3sa9 | [A2] | [A2] | [A2] | 1.7 | A68:N~2~-ACETYL-N-[(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]-L-ISOLEUCINAMIDE ACT:ACETATE ION PO4:PHOSPHATE ION | ||
3saa | [A2] | [A2] | [A2] | 1.95 | 77F:N-[(2S,3R)-4-{(CYCLOHEXYLMETHYL)[(4-METHOXYPHENYL)SULFONYL]AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]-3-HYDROXYBENZAMIDE PO4:PHOSPHATE ION | ||
3sab | [A2] | [A2] | [A2] | 1.5 | F78:3-HYDROXY-N-[(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](3-PHENYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]BENZAMIDE PO4:PHOSPHATE ION | ||
3sac | [A2] | [A2] | [A2] | 1.5 | AF8:3-HYDROXY-N-{(2S,3R)-3-HYDROXY-4-[(2-METHYLPROPYL){[5-(1,2-OXAZOL-5-YL)THIOPHEN-2-YL]SULFONYL}AMINO]-1-PHENYLBUTAN-2-YL}BENZAMIDE PO4:PHOSPHATE ION | ||
4djo | [A2] | [A2] | [A2] | 1.78 | ACT:ACETATE ION GOL:GLYCEROL MK5:2-[(DICHLOROACETYL)AMINO]ETHYL [(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}-1-PHENYLBUTAN-2-YL]CARBAMATE PO4:PHOSPHATE ION | ||
4djp | [A2] | [A2] | [A2] | 1.4 | M73:METHYL (2S)-3-({[(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}-1-PHENYLBUTAN-2-YL]CARBAMOYL}OXY)-2-METHYLPROPANOATE PO4:PHOSPHATE ION | ||
4djq | [A2] | [A2] | [A2] | 1.4 | M86:2-(2-OXOIMIDAZOLIDIN-1-YL)ETHYL [(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}-1-PHENYLBUTAN-2-YL]CARBAMATE PO4:PHOSPHATE ION | ||
4djr | [A2] | [A2] | [A2] | 1.55 | 0KJ:[(2S)-5-OXOPYRROLIDIN-2-YL]METHYL [(2S,3R)-4-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]CARBAMATE PO4:PHOSPHATE ION | ||
4ej8 | [A2] | [A2] | [A2] | 2.35 | 1F1:1H-INDOLE-6-CARBOXYLIC ACID DMS:DIMETHYL SULFOXIDE EDO:1,2-ETHANEDIOL | ||
4ejl | [A2] | [A2] | [A2] | 2.45 | DMS:DIMETHYL SULFOXIDE GOL:GLYCEROL IOP:INDOLYLPROPIONIC ACID PEG:DI(HYDROXYETHYL)ETHER | ||
4fl8 | [A2][ab] | [A2][ab] | [A2][ab] | 1.2 | CL:CHLORIDE ION GOL:GLYCEROL IL0:(2S,3S)-2-AMINO-3-METHYLPENTANE-1,1-DIOL | ||
4flg | [A2][abc] | [A2][abc] | [A2][abc] | 1.31 | CL:CHLORIDE ION GLU:GLUTAMIC ACID GOL:GLYCEROL ILE:ISOLEUCINE NA:SODIUM ION | ||
4k4q | [A2] | [A2] | [A2] | 1.8 | 06B:3-BROMO-2,6-DIMETHOXYBENZOIC ACID 3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE BME:BETA-MERCAPTOETHANOL DMS:DIMETHYL SULFOXIDE NO3:NITRATE ION | ||
4njt | [A2] | [A2] | [A2] | 1.95 | 017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE | ||
4njv | [A2] | [A2] | [A2] | 1.8 | RIT:RITONAVIR | ||
4q1w | [A2] | [A2] | [A2] | 1.85 | 017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE ACT:ACETATE ION PO4:PHOSPHATE ION | ||
4q1x | [A2] | [A2] | [A2] | 1.9 | 017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE GOL:GLYCEROL PO4:PHOSPHATE ION | ||
4q1y | [A2] | [A2] | [A2] | 1.5 | 017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE ACT:ACETATE ION PO4:PHOSPHATE ION | ||
5cok | [A2] | [A2] | [A2] | 1.8 | 52U:(3AS,4S,7AR)-HEXAHYDRO-4H-FURO[2,3-B]PYRAN-4-YL [(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]CARBAMATE | ||
5con | [A2] | [A2] | [A2] | 1.8 | 52W:(3R,3AS,4S,7AS)-3-HYDROXYHEXAHYDRO-4H-FURO[2,3-B]PYRAN-4-YL [(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]CARBAMATE | ||
5coo | [A2] | [A2] | [A2] | 1.8 | 52Z:(3R,3AS,4S,7AS)-3-HYDROXYHEXAHYDRO-4H-FURO[2,3-B]PYRAN-4-YL [(2S,3R)-3-HYDROXY-1-(4-METHOXYPHENYL)-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}BUTAN-2-YL]CARBAMATE | ||
5cop | [A2] | [A2] | [A2] | 2 | 53F:(3R,3AS,4S,7AS)-3-HYDROXYHEXAHYDRO-4H-FURO[2,3-B]PYRAN-4-YL [(2S,3R)-4-{[(4-AMINOPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-3-HYDROXY-1-(4-METHOXYPHENYL)BUTAN-2-YL]CARBAMATE | ||
5vj3 | [A2] | [A2] | [A2] | 2 | HV9:4-METHYL-N-({1-[4-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]PIPERIDIN-4-YL}CARBAMOYL)BENZENE-1-SULFONAMIDE MG:MAGNESIUM ION | ||
5w5w | [A2] | [A2] | [A2] | 3 | 3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE DMS:DIMETHYL SULFOXIDE HV9:4-METHYL-N-({1-[4-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]PIPERIDIN-4-YL}CARBAMOYL)BENZENE-1-SULFONAMIDE | ||
6dil | [A2] | [A2] | [A2] | 1.48 | ACT:ACETATE ION CL:CHLORIDE ION GOL:GLYCEROL NA:SODIUM ION TPV:N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE | ||
6dj2 | [A2] | [A2] | [A2] | 1.36 | AB1:N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE CL:CHLORIDE ION NA:SODIUM ION | ||
6dj5 | [A2] | [A2] | [A2] | 1.75 | CL:CHLORIDE ION G52:(3R,3AS,3BR,6AS,7AS)-OCTAHYDRODIFURO[2,3-B:3___sq___,2___sq___-D]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}PROPYL]CARBAMATE GOL:GLYCEROL NA:SODIUM ION | ||
6dj7 | [A2] | [A2] | [A2] | 1.31 | ACT:ACETATE ION CL:CHLORIDE ION G10:(3R,3AS,6AS)-4,4-DIFLUOROHEXAHYDROFURO[2,3-B]FURAN-3-YL[(2S,3R)-4-{[(4-AMINOPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]CARBAMATE GOL:GLYCEROL NA:SODIUM ION |
*Chain Formula of OLIGAMI.
[ ] : Polypeptide - [AB] : Protein, [ab] : Small peptide
( ) : Nucleic acid - (AB) : DNA, (ab) : RNA
[ ] : Polypeptide - [AB] : Protein, [ab] : Small peptide
( ) : Nucleic acid - (AB) : DNA, (ab) : RNA