UniProt P00797
Renin (P00797)
Renin (UniProt P00797), EC 3.4.23.15: 179 experimental structures and 1 predicted model on GenesisL1, 90 ligands bound, 744 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P00797
- Protein
- Renin
- EC
- 3.4.23.15
- Experimental structures
- 179
- Predicted models
- 1
- Ligands
- 90
- Pockets
- 744 · 167 records with a druggable one
Structures
180 records of P00797 in the MolNFT archive: 179 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1BBS | X-ray analyses of peptide inhibitor complexes define the structural basis of specificity for human… | x-ray diffraction | A, B | — | 3 (best 0.76) |
| 1BBS | X-ray analyses of peptide inhibitor complexes define the structural basis of specificity for human… | x-ray diffraction | A, B | — | 3 (best 0.76) |
| 1BIL | Crystallographic studies on the binding modes of P2-P3 butanediamide renin inhibitors | x-ray diffraction | A, B | 0IU | 5 (best 0.81) |
| 1BIL | Crystallographic studies on the binding modes of P2-P3 butanediamide renin inhibitors | x-ray diffraction | A, B | 0IU | 5 (best 0.81) |
| 1BIM | Crystallographic studies on the binding modes of P2-P3 butanediamide renin inhibitors | x-ray diffraction | A, B | 0QB | 5 (best 0.83) |
| 1BIM | Crystallographic studies on the binding modes of P2-P3 butanediamide renin inhibitors | x-ray diffraction | A, B | 0QB | 5 (best 0.83) |
| 1HRN | High resolution crystal structures of recombinant human renin in complex with polyhydroxymonoamide… | x-ray diffraction | A, B | NAG, 03D | 5 (best 0.80) |
| 1HRN | High resolution crystal structures of recombinant human renin in complex with polyhydroxymonoamide… | x-ray diffraction | A, B | NAG, 03D | 5 (best 0.80) |
| 1RNE | The crystal structure of recombinant glycosylated human renin alone and in complex with a… | x-ray diffraction | A | NAG, C60 | 1 (best 0.75) |
| 1RNE | The crystal structure of recombinant glycosylated human renin alone and in complex with a… | x-ray diffraction | A | NAG, C60 | 1 (best 0.75) |
| 2BKS | crystal structure of Renin-PF00074777 complex | x-ray diffraction | A, B | PZ1 | 3 (best 0.76) |
| 2BKS | Crystal structure of renin-PF00074777 complex | x-ray diffraction | A, B | PZ1 | 3 (best 0.76) |
| 2BKT | crystal structure of renin-pf00257567 complex | x-ray diffraction | A, B | RPF | 4 (best 0.75) |
| 2BKT | Crystal structure of renin-PF00257567 complex | x-ray diffraction | A, B | RPF | 4 (best 0.75) |
| 2FS4 | Ketopiperazine-Based Renin Inhibitors: Optimization of the C ring | x-ray diffraction | A, B | PZ1 | 3 (best 0.76) |
| 2FS4 | Ketopiperazine-based renin inhibitors: optimization of the C ring | x-ray diffraction | A, B | PZ1 | 3 (best 0.76) |
| 2G1N | Ketopiperazine-based renin inhibitors: Optimization of the "C" ring | x-ray diffraction | A, B | NAG, 1IG | 3 (best 0.76) |
| 2G1N | Ketopiperazine-based renin inhibitors: optimization of the "C" ring | x-ray diffraction | A, B | NAG, 1IG | 3 (best 0.76) |
| 2G1O | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | x-ray diffraction | A, B | NAG, 2IG | 2 (best 0.76) |
| 2G1O | Ketopiperazine-based renin inhibitors: optimization of the "C" ring | x-ray diffraction | A, B | NAG, 2IG | 2 (best 0.76) |
| 2G1R | Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring | x-ray diffraction | A, B | NAG, 3IG | 4 (best 0.76) |
| 2G1R | Ketopiperazine-based renin inhibitors: optimization of the C ring | x-ray diffraction | A, B | NAG, 3IG | 4 (best 0.76) |
| 2G1S | Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring | x-ray diffraction | A, B | NAG, 4IG | 3 (best 0.76) |
| 2G1S | Ketopiperazine-based renin inhibitors: optimization of the C ring | x-ray diffraction | A, B | NAG, 4IG | 3 (best 0.76) |
| 2G1Y | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | x-ray diffraction | A, B | NAG, 5IG | 4 (best 0.75) |
| 2G1Y | Ketopiperazine-based renin inhibitors: optimization of the "C" ring | x-ray diffraction | A, B | NAG, 5IG | 4 (best 0.75) |
| 2G20 | Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring | x-ray diffraction | A, B | L1A | 4 (best 0.76) |
| 2G20 | Ketopiperazine-based renin inhibitors: optimization of the C ring | x-ray diffraction | A, B | L1A | 4 (best 0.76) |
| 2G21 | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | x-ray diffraction | A, B | L1B | 4 (best 0.75) |
| 2G21 | Ketopiperazine-based renin inhibitors: optimization of the "C" ring | x-ray diffraction | A, B | L1B | 4 (best 0.75) |
| 2G22 | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | x-ray diffraction | A, B | NAG, 6IG | 3 (best 0.77) |
| 2G22 | Ketopiperazine-based renin inhibitors: optimization of the "C" ring | x-ray diffraction | A, B | NAG, 6IG | 3 (best 0.77) |
| 2G24 | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | x-ray diffraction | A, B | 7IG | 3 (best 0.76) |
| 2G24 | Ketopiperazine-based renin inhibitors: optimization of the "C" ring | x-ray diffraction | A, B | 7IG | 3 (best 0.76) |
| 2G26 | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | x-ray diffraction | A, B | 3LG | 4 (best 0.75) |
| 2G26 | Ketopiperazine-based renin inhibitors: optimization of the "C" ring | x-ray diffraction | A, B | 3LG | 4 (best 0.75) |
| 2G27 | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | x-ray diffraction | A, B | 4LG | 4 (best 0.76) |
| 2G27 | Ketopiperazine-based renin inhibitors: optimization of the "C" ring | x-ray diffraction | A, B | 4LG | 4 (best 0.76) |
| 2I4Q | Human renin/PF02342674 complex | x-ray diffraction | A, B | UA4 | 6 (best 0.83) |
| 2I4Q | Human RENIN/PF02342674 complex | x-ray diffraction | A, B | UA4 | 6 (best 0.83) |
| 2IKO | Crystal Structure of Human Renin Complexed with Inhibitor | x-ray diffraction | A, B | 7IG | 5 (best 0.81) |
| 2IKO | Crystal structure of human renin complexed with inhibitor | x-ray diffraction | A, B | 7IG | 5 (best 0.81) |
| 2IKU | Crystal Structure of Human Renin Complexed with Inhibitors | x-ray diffraction | A, B | LIY | 6 (best 0.82) |
| 2IKU | Crystal structure of human renin complexed with inhibitors | x-ray diffraction | A, B | LIY | 6 (best 0.82) |
| 2IL2 | Crystal Structure of Human Renin Complexed with Inhibitor | x-ray diffraction | A, B | LIX | 5 (best 0.82) |
| 2IL2 | Crystal structure of human renin complexed with inhibitor | x-ray diffraction | A, B | LIX | 5 (best 0.82) |
| 2REN | Structure of recombinant human renin, a target for cardiovascular-active drugs, at 2.5 ångströms… | x-ray diffraction | A | NAG | 1 (best 0.71) |
| 2REN | Structure of recombinant human renin, a target for cardiovascular- active drugs, at 2.5 ångströms… | x-ray diffraction | A | NAG | 1 (best 0.71) |
| 2V0Z | Crystal Structure of Renin with Inhibitor 10 (Aliskiren) | x-ray diffraction | C, O | NAG, C41 | 5 (best 0.82) |
| 2V0Z | Crystal structure of renin with inhibitor 10 (aliskiren) | x-ray diffraction | C, O | NAG, C41 | 5 (best 0.82) |
| 2V10 | Crystal Structure of Renin with Inhibitor 9 | x-ray diffraction | C, O | C61 | 5 (best 0.81) |
| 2V10 | Crystal structure of renin with inhibitor 9 | x-ray diffraction | C, O | C61 | 5 (best 0.81) |
| 2V11 | Crystal Structure of Renin with Inhibitor 6 | x-ray diffraction | C, O | C80 | 5 (best 0.80) |
| 2V11 | Crystal structure of renin with inhibitor 6 | x-ray diffraction | C, O | C80 | 5 (best 0.80) |
| 2V12 | Crystal Structure of Renin with Inhibitor 8 | x-ray diffraction | C, O | C39 | 4 (best 0.81) |
| 2V12 | Crystal structure of renin with inhibitor 8 | x-ray diffraction | C, O | C39 | 4 (best 0.81) |
| 2V13 | Crystal Structure of Renin with Inhibitor 7 | x-ray diffraction | A | C40 | 1 (best 0.74) |
| 2V13 | Crystal structure of renin with inhibitor 7 | x-ray diffraction | A | C40 | 1 (best 0.74) |
| 2V16 | Crystal Structure of Renin with Inhibitor 3 | x-ray diffraction | C, O | C47 | 5 (best 0.82) |
| 2V16 | Crystal structure of renin with inhibitor 3 | x-ray diffraction | C, O | C47 | 5 (best 0.82) |
120 records more on the page itself.
Ligands
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 133 records
- SO4 · Sulfate ion · in 30 records
- CL · Chloride ion · in 8 records
- UNL · Unknown ligand · in 5 records
- 7IG · 5-{4-[(3,5-difluorobenzyl)amino]phenyl}-6-ethylpyrimidine-2,4-diamine · in 4 records
- FUC · alpha-L-fucopyranose · in 4 records
- PZ1 · (6R)-6-({[1-(3-hydroxypropyl)-1,7-dihydroquinolin-7-yl]oxy}methyl)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)piperazin-2-one · in 4 records
- 03D · (2R,4S,5S)-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-4,5-dihydroxy-6-phenylhexanamide · in 2 records
- 0IU · (2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-[(1S,2R,3R)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-N~4~-[2-(d imethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide · in 2 records
- 0LR · (3R,4R)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine · in 2 records
- 0LS · N-{[(3S,4S)-4-benzylpyrrolidin-3-yl]methyl}-4-chloro-N-phenylaniline · in 2 records
- 0LT · N-{[(3S,4S)-4-benzylpyrrolidin-3-yl]methyl}-4-methoxy-3-(3-methoxypropoxy)-N-(propan-2-yl)benzamide · in 2 records
- 0LU · (2S)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol · in 2 records
- 0LW · (2R)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol · in 2 records
- 0M2 · (2R)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1H)-yl)propan-2-ol · in 2 records
- 0M3 · (3S,5R)-N-(2,2-diphenylethyl)-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide · in 2 records
- 0ME · (3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide · in 2 records
- 0MJ · (3S,5R)-5-{[(4-methylphenyl)sulfonyl]amino}-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide · in 2 records
- 0N0 · (3S,5R)-N-{[9-(4-methoxybutyl)-9H-xanthen-9-yl]methyl}-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide · in 2 records
- 0QB · (2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-{(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-2-[(3R)-1,5,5-trimethyl-2-oxopyrrolidin-3-yl]ethyl}-N~4~-[2-(dimethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide · in 2 records
- 1IG · N-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]ethyl}acetamide · in 2 records
- 22X · (3R)-3-[(1S)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide · in 2 records
- 2IG · 6-ethyl-5-[9-(3-methoxypropyl)-9H-carbazol-2-yl]pyrimidine-2,4-diamine · in 2 records
- 2XF · tert-butyl {(3S,5R)-5-[cyclopropyl(2,3-dichlorobenzyl)carbamoyl]piperidin-3-yl}carbamate · in 2 records
- 2Y9 · (3S,4R,5R)-N-cyclopropyl-N'-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-N-[5-(propan-2-yl)pyridin-2-yl]piperidine-3,5-dicarboxamide · in 2 records
- 3IG · N-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethyl}acetamide · in 2 records
- 3LG · (5-{[(2R)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1H-indol-1-yl)acetic acid · in 2 records
- 3OW · (2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4S,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide · in 2 records
- 3OX · (2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4R,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide · in 2 records
- 3ZJ · N-({(3S,4S)-4-[(benzylsulfonyl)amino]pyrrolidin-3-yl}methyl)-4-methoxy-3-(3-methoxypropoxy)-N-(propan-2-yl)benzamide · in 2 records
Experiment against prediction
- 3OAG chain B against the predicted model P00797: TM-score 0.99, RMSD 0.34 Å
- 3OAD chain B against the predicted model P00797: TM-score 0.99, RMSD 0.39 Å
- 3O9L chain B against the predicted model P00797: TM-score 0.99, RMSD 0.46 Å
- 3VCM chain B against the predicted model P00797: TM-score 0.98, RMSD 0.97 Å
- 4AMT chain A against the predicted model P00797: TM-score 0.98, RMSD 1.01 Å
- 1BIL chain B against the predicted model P00797: TM-score 0.98, RMSD 1.05 Å
- 1BIL chain B against the predicted model P00797: TM-score 0.98, RMSD 1.05 Å
- 5VRP chain B against the predicted model P00797: TM-score 0.98, RMSD 1.07 Å
- 2REN chain A against the predicted model P00797: TM-score 0.98, RMSD 1.26 Å
- 1BIM chain B against the predicted model P00797: TM-score 0.98, RMSD 1.09 Å
Elsewhere
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