UniProt P12821
Angiotensin-converting enzyme (P12821)
Angiotensin-converting enzyme (UniProt P12821), EC 3.2.1.-, 3.4.15.1: 93 experimental structures and 1 predicted model on GenesisL1, 21 ligands bound, 101 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P12821
- Protein
- Angiotensin-converting enzyme
- EC
- 3.2.1.-, 3.4.15.1
- Experimental structures
- 93
- Predicted models
- 1
- Ligands
- 21
- Pockets
- 101 · 9 records with a druggable one
Structures
94 records of P12821 in the MolNFT archive: 93 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2C6F | Structure of human somatic angiontensin-I converting enzyme N domain | x-ray diffraction | A, B | — | — |
| 2C6F | Structure of human somatic angiontensin-I converting enzyme N domain | x-ray diffraction | A, B | — | — |
| 2OC2 | Structure of testis ACE with RXPA380 | x-ray diffraction | A | — | — |
| 2OC2 | Structure of testis ACE with RXPA380 | x-ray diffraction | A | — | — |
| 2XY9 | Human Angiotensin converting enzyme in complex with phosphinic tripeptide | x-ray diffraction | A | — | — |
| 2XY9 | Human angiotensin converting enzyme in complex with phosphinic tripeptide | x-ray diffraction | A | — | — |
| 2XYD | human Angiotenisn converting enzyme N-domain in complex with Phosphinic tripeptide | x-ray diffraction | A, B | — | — |
| 2XYD | Human angiotenisn converting enzyme N-domain in complex with phosphinic tripeptide | x-ray diffraction | A, B | — | — |
| 2YDM | Structural characterization of angiotensin-I converting enzyme in complex with a selenium analogue… | x-ray diffraction | A | — | — |
| 2YDM | Structural characterization of angiotensin-I converting enzyme in complex with a selenium analogue… | x-ray diffraction | A | — | — |
| 3BKK | Tesis ACE co-crystal structure with ketone ACE inhibitor kAF | x-ray diffraction | A | — | — |
| 3BKK | Tesis ACE co-crystal structure with ketone ACE inhibitor kaf | x-ray diffraction | A | — | — |
| 3BKL | Testis ACE co-crystal structure with ketone ACE inhibitor kAW | x-ray diffraction | A | — | — |
| 3BKL | Testis ACE co-crystal structure with ketone ACE inhibitor kaw | x-ray diffraction | A | — | — |
| 3L3N | Testis ACE co-crystal structure with novel inhibitor lisW | x-ray diffraction | A | — | — |
| 3L3N | Testis ACE co-crystal structure with novel inhibitor lisw | x-ray diffraction | A | — | — |
| 3NXQ | Angiotensin Converting Enzyme N domain glycsoylation mutant (Ndom389) in complex with RXP407 | x-ray diffraction | A, B | — | — |
| 3NXQ | Angiotensin converting enzyme N domain glycsoylation mutant (NDOM389) in complex with RXP407 | x-ray diffraction | A, B | — | — |
| 4APH | Human angiotensin-converting enzyme in complex with angiotensin-II | x-ray diffraction | A | — | — |
| 4APH | Human angiotensin-converting enzyme in complex with angiotensin-II | x-ray diffraction | A | — | — |
| 4APJ | Human angiotensin-converting enzyme in complex with BPPb | x-ray diffraction | A | — | — |
| 4APJ | Human angiotensin-converting enzyme in complex with bppb | x-ray diffraction | A | — | — |
| 4BXK | Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with a domain-specific… | x-ray diffraction | A, B | — | — |
| 4BXK | Crystal structure of the angiotensin-1 converting enzyme N-domain in complex with a domain-specific… | x-ray diffraction | A, B | — | — |
| 4BZR | Human testis angiotensin converting enzyme in complex with K-26 | x-ray diffraction | A | — | — |
| 4BZR | Human testis angiotensin converting enzyme in complex with K-26 | x-ray diffraction | A | — | — |
| 4BZS | Human angiotenisn converting enzyme N-domain in complex with K-26 | x-ray diffraction | A, B | — | — |
| 4BZS | Human angiotenisn converting enzyme N-domain in complex with K-26 | x-ray diffraction | A, B | — | — |
| 4C2N | Crystal structure of human testis angiotensin-I converting enzyme mutant E403R | x-ray diffraction | A | — | — |
| 4C2N | Crystal structure of human testis angiotensin-I converting enzyme mutant E403R | x-ray diffraction | A | — | — |
| 4C2O | Crystal structure of human testis angiotensin-I converting enzyme mutant D465T | x-ray diffraction | A | — | — |
| 4C2O | Crystal structure of human testis angiotensin-I converting enzyme mutant D465T | x-ray diffraction | A | — | — |
| 4C2P | Crystal structure of human testis angiotensin-I converting enzyme mutant R522K in complex with… | x-ray diffraction | A | — | — |
| 4C2P | Crystal structure of human testis angiotensin-I converting enzyme mutant R522K in complex with… | x-ray diffraction | A | — | — |
| 4C2Q | Crystal structure of human testis angiotensin-I converting enzyme mutant R522K | x-ray diffraction | A | — | — |
| 4C2Q | Crystal structure of human testis angiotensin-I converting enzyme mutant R522K | x-ray diffraction | A | — | — |
| 4C2R | Crystal structure of human testis angiotensin-I converting enzyme mutant R522Q | x-ray diffraction | A | — | — |
| 4C2R | Crystal structure of human testis angiotensin-I converting enzyme mutant R522Q | x-ray diffraction | A | — | — |
| 4CA5 | Human Angiotensin converting enzyme in complex with a phosphinic tripeptide FI | x-ray diffraction | A | — | — |
| 4CA5 | Human angiotensin converting enzyme in complex with a phosphinic tripeptide fi | x-ray diffraction | A | — | — |
| 4CA6 | Human Angiotensin converting enzyme N-domain in complex with a phosphinic tripeptide FI | x-ray diffraction | A, B | — | — |
| 4CA6 | Human angiotensin converting enzyme N-domain in complex with a phosphinic tripeptide fi | x-ray diffraction | A, B | — | — |
| 4UFA | Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with Ac-SD | x-ray diffraction | A, B | — | — |
| 4UFA | Crystal structure of the angiotensin-1 converting enzyme N-domain in complex with ac-sd | x-ray diffraction | A, B | — | — |
| 4UFB | Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with Lys-Pro | x-ray diffraction | A, B, C, D | — | — |
| 4UFB | Crystal structure of the angiotensin-1 converting enzyme N-domain in complex with lys-pro | x-ray diffraction | A, B, C, D | — | — |
| 5AM8 | Crystal structure of the angiotensin-1 converting enzyme N-domain in complex with amyloid-beta 4-10 | x-ray diffraction | A, B, C, D | — | — |
| 5AM9 | Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with amyloid-beta 10-16 | x-ray diffraction | A, B, C, D | NAG, FUL, MAN, FUC, BMA, ZN | 20 (best 0.83) |
| 5AM9 | Crystal structure of the angiotensin-1 converting enzyme N-domain in complex with amyloid-beta 10-16 | x-ray diffraction | A, B, C, D | — | — |
| 5AMA | Crystal structure of the angiotensin-1 converting enzyme N-domain in complex with amyloid-beta 1-16 | x-ray diffraction | A, B, C, D | — | — |
| 5AMB | Crystal structure of the angiotensin-1 converting enzyme N-domain in complex with amyloid-beta 35-42 | x-ray diffraction | A, B | — | — |
| 5AMC | Crystal structure of the angiotensin-1 converting enzyme N-domain in complex with amyloid-beta… | x-ray diffraction | A, B | — | — |
| 6EN5 | Crystal structure A of the Angiotensin-1 converting enzyme N-domain in complex with a diprolyl… | x-ray diffraction | A, B, C, D | NAG, BMA, FUC, MAN, ZN, BJ2 | 20 (best 0.87) |
| 6EN5 | Crystal structure a of the angiotensin-1 converting enzyme N-domain in complex with a diprolyl… | x-ray diffraction | A, B, C, D | NAG, BMA, FUC, MAN, ZN, BJ2 | — |
| 6EN6 | Crystal structure B of the angiotensin-1 converting enzyme N-domain in complex with a diprolyl… | x-ray diffraction | A, B, C, D | NAG, BMA, FUC, ZN, BJ2, CL | — |
| 6F9R | Crystal structure of human angiotensin-1 converting enzyme N-domain in complex with sampatrilat-asp. | x-ray diffraction | A, B | NAG, FUC, BMA, ZN, D0W, CL | — |
| 6F9T | Crystal structure of human testis angiotensin-1 converting enzyme in complex with sampatrilat. | x-ray diffraction | A | NAG, MAN, FUC, ZN, D0Z, CL | — |
| 6F9U | Crystal structure of human testis angiotensin-1 converting enzyme in complex with sampatrilat-asp. | x-ray diffraction | A | NAG, MAN, FUC, ZN, CL, D0W | — |
| 6F9V | Crystal structure of human angiotensin-1 converting enzyme N-domain in complex with sampatrilat. | x-ray diffraction | A, B | NAG, BMA, FUC, ZN, D0Z, CL | — |
| 6H5W | Crystal structure of human Angiotensin-1 converting enzyme C-domain in complex with Omapatrilat. | x-ray diffraction | A | NAG, FUC, ZN, CL, FT8, BO3 | — |
34 records more on the page itself.
Ligands
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 42 records
- FUC · alpha-L-fucopyranose · in 41 records
- ZN · Zinc ion · in 41 records
- CL · Chloride ion · in 37 records
- BMA · beta-D-mannopyranose · in 21 records
- BO3 · Boric acid · in 17 records
- MG · Magnesium ion · in 15 records
- MAN · alpha-D-mannopyranose · in 8 records
- BCN · Bicine · in 7 records
- BJ2 · (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid · in 5 records
- FT8 · Omapatrilat · in 5 records
- 8J9 · (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid · in 4 records
- KS8 · fosinoprilat · in 3 records
- NA · Sodium ion · in 3 records
- 8JV · (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid · in 2 records
- 8KC · (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid · in 2 records
- CA · Calcium ion · in 2 records
- D0W · Sampatrilat-Asp · in 2 records
- D0Z · Sampatrilat · in 2 records
- 1IU · [3-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-2-methyl-3-oxidanylidene-propyl]-[(1R)-1-[[(2R)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-yl)propanoyl]amino]-2-phenyl-ethyl]phosphinic acid · in 1 record
- FUL · beta-L-fucopyranose · in 1 record
Experiment against prediction
- 6F9V chain B against the predicted model P12821: TM-score 0.99, RMSD 0.66 Å
- 5AM8 chain A against the predicted model P12821: TM-score 0.99, RMSD 0.67 Å
- 6F9R chain A against the predicted model P12821: TM-score 0.99, RMSD 0.68 Å
- 5AMB chain B against the predicted model P12821: TM-score 0.99, RMSD 0.69 Å
- 7Q26 chain B against the predicted model P12821: TM-score 0.99, RMSD 0.69 Å
- 6TT1 chain A against the predicted model P12821: TM-score 0.99, RMSD 0.70 Å
- 2C6F chain A against the predicted model P12821: TM-score 0.99, RMSD 0.70 Å
- 2C6F chain A against the predicted model P12821: TM-score 0.99, RMSD 0.70 Å
- 7Z6Z chain B against the predicted model P12821: TM-score 0.99, RMSD 0.70 Å
- 6TT4 chain A against the predicted model P12821: TM-score 0.99, RMSD 0.70 Å
Elsewhere
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