UniProt P0AEG4
Thiol:disulfide interchange protein DsbA (P0AEG4)
Thiol:disulfide interchange protein DsbA (UniProt P0AEG4): 95 experimental structures and 1 predicted model on GenesisL1, 41 ligands bound, 217 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- P0AEG4
- Protein
- Thiol:disulfide interchange protein DsbA
- Experimental structures
- 95
- Predicted models
- 1
- Ligands
- 41
- Pockets
- 217 · 50 records with a druggable one
Structures
96 records of P0AEG4 in the MolNFT archive: 95 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2B3S | structure of the DSBA mutant (P31G-C33A) | x-ray diffraction | A, B | — | 6 (best 0.76) |
| 2B3S | Structure of the dsba mutant (P31G-C33A) | x-ray diffraction | A, B | — | — |
| 2B6M | Structure of the DsbA mutant (P31A-C33A) | x-ray diffraction | A, B | — | 3 (best 0.77) |
| 2B6M | Structure of the dsba mutant (P31A-C33A) | x-ray diffraction | A, B | — | — |
| 2HI7 | Crystal structure of DsbA-DsbB-ubiqui complex | x-ray diffraction | A | — | — |
| 2HI7 | Crystal structure of dsba-dsbb-ubiquinone complex | x-ray diffraction | A | — | — |
| 2LEG | Membrane protein complex DsbB-DsbA structure by joint calculations with solid-state NMR and X-ray… | solid-state nmr | A | — | — |
| 2LEG | Membrane protein complex dsbb-dsba structure by joint calculations with solid-state NMR and X-ray… | solid-state nmr | A | — | — |
| 2NDO | Structure of EcDsbA-sulfonamide1 complex | solution nmr | A | — | — |
| 2NDO | Structure of ecdsba-SULFONAMIDE1 complex | solution nmr | A | — | — |
| 2ZUP | Updated crystal structure of DsbB-DsbA complex from E. coli | x-ray diffraction | A | — | — |
| 2ZUP | Updated crystal structure of dsbb-dsba complex from E. COLI | x-ray diffraction | A | — | — |
| 3E9J | Structure of the charge-transfer intermediate of the transmembrane redox catalyst DsbB | x-ray diffraction | B, E | — | — |
| 3E9J | Structure of the charge-transfer intermediate of the transmembrane redox catalyst dsbb | x-ray diffraction | B, E | — | — |
| 4TKY | The complex structure of E. coli DsbA bound to a peptide at the DsbA/DsbB interface | x-ray diffraction | A, B, C, D | — | — |
| 4TKY | The complex structure of E. COLI dsba bound to a peptide at the DSBA/DSBB interface | x-ray diffraction | A, B, C, D | — | — |
| 4ZIJ | Crystal structure of E.Coli DsbA in complex with 2-(4-iodophenylsulfonamido) benzoic acid | x-ray diffraction | A, B | SFQ | 4 (best 0.64) |
| 4ZIJ | Crystal structure of E.COLI dsba in complex with 2-(4- iodophenylsulfonamido) benzoic acid | x-ray diffraction | A, B | — | — |
| 6BQX | Crystal structure of Escherichia coli DsbA in complex with N-methyl-1-(4-phenoxyphenyl)methanamine | x-ray diffraction | A, B | 9AG | 4 (best 0.55) |
| 6BQX | Crystal structure of escherichia COLI dsba in complex with N-methyl-1- (4-PHENOXYPHENYL)METHANAMINE | x-ray diffraction | A, B | 9AG | — |
| 6BR4 | Crystal structure of Escherichia coli DsbA in complex with… | x-ray diffraction | A, B | 60L, CU | 4 (best 0.57) |
| 6BR4 | Crystal structure of escherichia COLI dsba in complex with {N}-methyl… | x-ray diffraction | A, B | 60L, CU | — |
| 6PBI | Crystal Structure of EcDsbA in a complex with purified morpholine 8 | x-ray diffraction | A, B | O6Y, CU | 4 (best 0.55) |
| 6PBI | Crystal structure of ecdsba in a complex with purified morpholine 8 | x-ray diffraction | A, B | O6Y, CU | — |
| 6PC9 | Crystal Structure of EcDsbA in a complex with purified methylpiperazi 6 | x-ray diffraction | A, B | O7P | 4 (best 0.63) |
| 6PC9 | Crystal structure of ecdsba in a complex with purified methylpiperazinone 6 | x-ray diffraction | A, B | O7P | — |
| 6PD7 | Crystal Structure of EcDsbA in a complex with purified morpholine carboxylic acid 7 | x-ray diffraction | A, B | OAJ | 4 (best 0.60) |
| 6PD7 | Crystal structure of ecdsba in a complex with purified morpholine carboxylic acid 7 | x-ray diffraction | A, B | OAJ | — |
| 6PDH | Crystal Structure of EcDsbA in a complex with purified pyrazole 9 | x-ray diffraction | A, B | OAV | 4 (best 0.62) |
| 6PDH | Crystal structure of ecdsba in a complex with purified pyrazole 9 | x-ray diffraction | A, B | OAV | — |
| 6PG1 | Crystal Structure of EcDsbA in a complex with unpurified reaction product F1 (methylpiperazi 6) | x-ray diffraction | A, B | O7P, CU | 4 (best 0.60) |
| 6PG1 | Crystal structure of ecdsba in a complex with unpurified reaction product F1 (methylpiperazinone 6) | x-ray diffraction | A, B | O7P, CU | — |
| 6PG2 | Crystal Structure of EcDsbA in a complex with unpurified reaction product H5 (morpholine 8) | x-ray diffraction | A, B | O6Y, CU | 3 (best 0.66) |
| 6PG2 | Crystal structure of ecdsba in a complex with unpurified reaction product H5 (morpholine 8) | x-ray diffraction | A, B | O6Y, CU | — |
| 6PGJ | Crystal Structure of EcDsbA in a complex with unpurified reaction product A5 (Morpholine carboxylic… | x-ray diffraction | A, B | OMJ, CU, OAJ | 5 (best 0.59) |
| 6PGJ | Crystal structure of ecdsba in a complex with unpurified reaction product A5 (morpholine carboxylic… | x-ray diffraction | A, B | OMJ, CU, OAJ | — |
| 6PIQ | Crystal Structure of EcDsbA in a complex with unpurified reaction product G6 (pyrazole 9) | x-ray diffraction | A, B | OAV, CU | 5 (best 0.62) |
| 6PIQ | Crystal structure of ecdsba in a complex with unpurified reaction product G6 (pyrazole 9) | x-ray diffraction | A, B | OAV, CU | — |
| 6PLI | Crystal Structure of EcDsbA in a complex with purified oxadiazole 11 | x-ray diffraction | A, B | ONY, CU | 4 (best 0.59) |
| 6PLI | Crystal structure of ecdsba in a complex with purified oxadiazole 11 | x-ray diffraction | A, B | ONY, CU | — |
| 6PMF | Crystal Structure of EcDsbA in complex with aniline 15 | x-ray diffraction | A, B | LD9, CU | — |
| 6PMF | Crystal structure of ecdsba in complex with aniline 15 | x-ray diffraction | A, B | LD9, CU | — |
| 6PML | Crystal Structure of EcDsbA in complex benzyl ether 23 | x-ray diffraction | A, B | OR4, CU | 4 (best 0.60) |
| 6PML | Crystal structure of ecdsba in complex benzyl ether 23 | x-ray diffraction | A, B | OR4, CU | — |
| 6POH | Crystal Structure of EcDsbA in complex alkyl ether 21 | x-ray diffraction | A, B | OVG, CU | 4 (best 0.53) |
| 6POH | Crystal structure of ecdsba in complex alkyl ether 21 | x-ray diffraction | A, B | OVG, CU | — |
| 6POI | Crystal Structure of EcDsbA in complex phenyl ether 25 | x-ray diffraction | A, B | OVS, CU | 5 (best 0.60) |
| 6POI | Crystal structure of ecdsba in complex phenyl ether 25 | x-ray diffraction | A, B | OVS, CU | — |
| 6POQ | Crystal Structure of EcDsbA in complex with anisidine 16 | x-ray diffraction | A, B | OVJ, CU | 4 (best 0.56) |
| 6POQ | Crystal structure of ecdsba in complex with anisidine 16 | x-ray diffraction | A, B | OVJ, CU | — |
| 6PVY | E.coli DsbA in complex with benzofuran compound 26 ([6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic… | x-ray diffraction | A, B | OZG, CU | 4 (best 0.56) |
| 6PVY | E.COLI dsba in complex with benzofuran compound 26 ([6-(3- methoxyphenoxy)-1-benzofuran-3-YL]ACETIC… | x-ray diffraction | A, B | OZG, CU | — |
| 6PVZ | E.coli DsbA in complex with benzofuran compound 28 ((6-benzyl-1-benzofuran-3-yl)acetic acid) | x-ray diffraction | A, B | OZM, CU | 4 (best 0.59) |
| 6PVZ | E.COLI dsba in complex with benzofuran compound 28 ((6-benzyl-1- benzofuran-3-YL)ACETIC acid) | x-ray diffraction | A, B | OZM, CU | — |
| 6WHD | Crystal structure of E.coli DsbA in complex with diaryl ether analogue 2 | x-ray diffraction | A, B | KFS | — |
| 6WHD | Crystal structure of E.COLI dsba in complex with diaryl ether analogue 2 | x-ray diffraction | A, B | KFS | — |
| 6XSP | Crystal structure of E.coli DsbA in complex with 2-(2,6-bis(3-methoxyphenyl)benzofuran-3-yl)acetic… | x-ray diffraction | A, B | VCY, CU | 4 (best 0.56) |
| 6XSP | Crystal structure of E.COLI dsba in complex with 2-(2,6-BIS(3- METHOXYPHENYL)BENZOFURAN-3-YL)ACETIC… | x-ray diffraction | A, B | VCY, CU | — |
| 6XSQ | Crystal structure of E.coli DsbA in complex with 2-(6-(3-methoxyphenyl)-2-(4-methoxyphenyl)benzofura… | x-ray diffraction | A, B | VE7, CU | — |
| 6XSQ | Crystal structure of E.COLI dsba in complex with 2-(6-(3… | x-ray diffraction | A, B | VE7, CU | — |
36 records more on the page itself.
Ligands
- CU · Copper (II) ion · in 60 records
- O6Y · 2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile · in 4 records
- O7P · 2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile · in 4 records
- OAJ · (3R)-4-{[4-(4-cyano-3-methylphenoxy) phenyl]acetyl}morpholine-3-carboxylic acid · in 4 records
- OAV · 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide · in 4 records
- SW0 · N-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide · in 3 records
- 5V9 · ~{N}-[(4-thiophen-3-ylphenyl)methyl]cyclohexanamine · in 2 records
- 60L · ~{N}-methyl-1-(3-thiophen-2-ylphenyl)methanamine · in 2 records
- 9AG · N-methyl-1-(4-phenoxyphenyl)methanamine · in 2 records
- KFS · [4-(4-cyano-3-methylphenoxy)phenyl]acetic acid · in 2 records
- LD9 · [6-(phenylamino)-1-benzofuran-3-yl]acetic acid · in 2 records
- OMJ · (3S)-4-{[4-(4-cyano-3-methylphenoxy) phenyl]acetyl}morpholine-3-carboxylic acid · in 2 records
- ONY · 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide · in 2 records
- OR4 · [6-(benzyloxy)-1-benzofuran-3-yl]acetic acid · in 2 records
- OVG · (6-butoxy-1-benzofuran-3-yl)acetic acid · in 2 records
- OVJ · {6-[(4-methoxyphenyl)amino]-1-benzofuran-3-yl}acetic acid · in 2 records
- OVS · (6-phenoxy-1-benzofuran-3-yl)acetic acid · in 2 records
- OZG · [6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid · in 2 records
- OZM · (6-benzyl-1-benzofuran-3-yl)acetic acid · in 2 records
- TCH · Taurocholic acid · in 2 records
- VCY · [2,6-bis(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid · in 2 records
- VE7 · [6-(3-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran-3-yl]acetic acid · in 2 records
- VED · 3-[3-(carboxymethyl)-6-(3-methoxyphenyl)-1-benzofuran-2-yl]benzoic acid · in 2 records
- W9H · 2-benzyl-4-phenyl-1,3-thiazole-5-carboxylic acid · in 2 records
- XPV · (6-phenyl-1-benzofuran-3-yl)acetic acid · in 2 records
- XQ1 · [6-(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid · in 2 records
- Y1G · (6-bromo-2-phenyl-1-benzofuran-3-yl)acetic acid · in 2 records
- 010 · phenylmethanol · in 1 record
- 5VA · ~{N}-methyl-1-(3-thiophen-3-ylphenyl)methanamine · in 1 record
- 5VB · 1-[(3-thiophen-3-ylphenyl)methyl]-3~{H}-pyrrol-2-one · in 1 record
Experiment against prediction
- 4TKY chain B against the predicted model P0AEG4: TM-score 0.99, RMSD 0.48 Å
- 4TKY chain B against the predicted model P0AEG4: TM-score 0.99, RMSD 0.48 Å
- 6PDH chain B against the predicted model P0AEG4: TM-score 0.99, RMSD 0.53 Å
- 6PDH chain B against the predicted model P0AEG4: TM-score 0.99, RMSD 0.53 Å
- 4TKY chain A against the predicted model P0AEG4: TM-score 0.99, RMSD 0.55 Å
- 4TKY chain A against the predicted model P0AEG4: TM-score 0.99, RMSD 0.55 Å
- 8DN0 chain B against the predicted model P0AEG4: TM-score 0.99, RMSD 0.55 Å
- 8D11 chain B against the predicted model P0AEG4: TM-score 0.99, RMSD 0.56 Å
- 8UBQ chain B against the predicted model P0AEG4: TM-score 0.99, RMSD 0.56 Å
- 8D10 chain B against the predicted model P0AEG4: TM-score 0.99, RMSD 0.57 Å
Elsewhere
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