UniProt P0A2U4
Chaperone protein IpgC (P0A2U4)
Chaperone protein IpgC (UniProt P0A2U4): 34 experimental structures and 1 predicted model on GenesisL1, 15 ligands bound, 32 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P0A2U4
- Protein
- Chaperone protein IpgC
- Experimental structures
- 34
- Predicted models
- 1
- Ligands
- 15
- Pockets
- 32 · 10 records with a druggable one
Structures
35 records of P0A2U4 in the MolNFT archive: 34 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3GYZ | Crystal structure of IpgC from Shigella flexneri | x-ray diffraction | A, B | — | — |
| 3GYZ | Crystal structure of ipgc from shigella flexneri | x-ray diffraction | A, B | — | — |
| 3GZ1 | Crystal structure of IpgC in complex with the chaperone binding region of IpaB | x-ray diffraction | A, B | — | — |
| 3GZ1 | Crystal structure of ipgc in complex with the chaperone binding region of ipab | x-ray diffraction | A, B | — | — |
| 3GZ2 | Crystal structure of IpgC in complex with an IpaB peptide | x-ray diffraction | A, B | — | — |
| 3GZ2 | Crystal structure of ipgc in complex with an ipab peptide | x-ray diffraction | A, B | — | — |
| 3KS2 | Crystal Structure of Type-III Secretion Chaperone IpgC from Shigella flexneri (residues 10-155) | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R | — | — |
| 3KS2 | Crystal structure of type-III secretion chaperone ipgc from shigella flexneri (residues 10-155) | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R | — | — |
| 6SCB | Crystal structure of a shortened IpgC variant with two bound Magnesium and two bound Chlorine atoms… | x-ray diffraction | A, B | CL, MG | 2 (best 0.60) |
| 6SCB | Crystal structure of a shortened ipgc variant with two bound magnesium and two bound chlorine atoms… | x-ray diffraction | A, B | CL, MG | — |
| 7AXY | Crystal structure of a shortened IpgC variant in complex with… | x-ray diffraction | A, B | CL, MG, E9Q | 3 (best 0.54) |
| 7AXY | Crystal structure of a shortened ipgc variant in complex with 3-amino… | x-ray diffraction | A, B | CL, E9Q | — |
| 7AYW | Crystal structure of a shortened ipgc variant in complex with 2H- isoindol-1-amine | x-ray diffraction | A, B | F05, CL | — |
| 7AZV | Crystal structure of a shortened IpgC variant in complex with… | x-ray diffraction | A, B | CL, FBF, MG | — |
| 7AZV | Crystal structure of a shortened ipgc variant in complex with 4… | x-ray diffraction | A, B | CL, FBF, MG | — |
| 7B1U | Crystal structure of a shortened IpgC variant in complex with… | x-ray diffraction | A, B | CL, L2K, MG | 5 (best 0.56) |
| 7B1U | Crystal structure of a shortened ipgc variant in complex with 3-(3,4… | x-ray diffraction | A, B | CL, L2K, MG | — |
| 7NHW | Crystal structure of a shortened IpgC variant in complex with chlorzoxazone | x-ray diffraction | A, B | CL, CLW, MG | 2 (best 0.64) |
| 7NHW | Crystal structure of a shortened ipgc variant in complex with chlorzoxazone | x-ray diffraction | A, B | CL, CLW, MG | — |
| 7NL8 | Crystal structure of a shortened ipgc variant in complex with 3- methylbenzohydrazide | x-ray diffraction | A, B | CL, MG, 45L | — |
| 7NRG | Crystal structure of a shortened IpgC variant in complex with (1R)-2-amino-1-(4-fluorophenyl)ethanol | x-ray diffraction | A, B | CL, UQB, MG | 3 (best 0.61) |
| 7NRG | Crystal structure of a shortened ipgc variant in complex with (1R)-2… | x-ray diffraction | A, B | CL, UQB | — |
| 7O04 | Crystal structure of a shortened IpgC variant in complex with… | x-ray diffraction | A, B | MG, CL, 4AV | 2 (best 0.63) |
| 7O04 | Crystal structure of a shortened ipgc variant in complex with [(2… | x-ray diffraction | A, B | MG, CL, 4AV | — |
| 7O6S | Crystal structure of a shortened ipgc variant in complex with N-(2H-1… | x-ray diffraction | A, B | CL, MG, 45N | — |
| 7OWV | Crystal structure of IpgC in complex with a follow-up compound based on J20 | x-ray diffraction | A, B | CL, 2IY | — |
| 7OWV | Crystal structure of ipgc in complex with a follow-up compound based on J20 | x-ray diffraction | A, B | CL, 2IY | — |
| 7P42 | Crystal structure of IpgC in complex with a follow-up compound based on J2 | x-ray diffraction | A, B | CL, MG, 5I8 | 5 (best 0.58) |
| 7P42 | Crystal structure of ipgc in complex with a follow-up compound based on J2 | x-ray diffraction | A, B | CL, MG, 5I8 | — |
| 7PE0 | Crystal structure of IpgC in complex with J52 | x-ray diffraction | A, B | CL, 483, MG | 3 (best 0.60) |
| 7PE0 | Crystal structure of ipgc in complex with J52 | x-ray diffraction | A, B | CL, 483, MG | — |
| 7PEF | Crystal structure of IpgC in complex with DMSO | x-ray diffraction | A, B | CL, MG | 4 (best 0.68) |
| 7PEF | Crystal structure of ipgc in complex with dmso | x-ray diffraction | A, B | CL, MG | — |
| 8QH6 | Crystal structure of IpgC in complex with a follow-up compound based on J20 | x-ray diffraction | A, B | V9U, MG, CL | 3 (best 0.63) |
| P0A2U4 | AlphaFold monomer V2.0 prediction for chaperone protein ipgc (P0A2U4) | predicted | A | — | — |
Ligands
- CL · Chloride ion · in 26 records
- MG · Magnesium ion · in 21 records
- 2IY · 3-(4-chlorophenyl)-5-methylsulfanyl-1~{H}-pyrazole-4-carbonitrile · in 2 records
- 483 · 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide · in 2 records
- 4AV · 1-(2-chloro-5-nitrophenyl)-N-methylmethanamine · in 2 records
- 5I8 · 2-(4,6-dimethylpyrimidin-2-yl)-3H-isoindol-1-imine · in 2 records
- CLW · Chlorzoxazone · in 2 records
- E9Q · 5-azanyl-3-pyrrolidin-1-yl-1~{H}-pyrazole-4-carbonitrile · in 2 records
- FBF · 4-(trifluoromethyl)benzenecarboximidamide · in 2 records
- L2K · 3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine · in 2 records
- UQB · (1R)-2-amino-1-(4-fluorophenyl)ethanol · in 2 records
- 45L · 3-methylbenzohydrazide · in 1 record
- 45N · N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine · in 1 record
- F05 · 1H-isoindol-3-amine · in 1 record
- V9U · 3-azanyl-6-chloranyl-isoindol-1-one · in 1 record
Experiment against prediction
- 7NHW chain A against the predicted model P0A2U4: TM-score 0.96, RMSD 0.97 Å
- 7NHW chain A against the predicted model P0A2U4: TM-score 0.96, RMSD 0.97 Å
- 7B1U chain A against the predicted model P0A2U4: TM-score 0.96, RMSD 1.00 Å
- 7B1U chain A against the predicted model P0A2U4: TM-score 0.96, RMSD 1.00 Å
- 7AXY chain A against the predicted model P0A2U4: TM-score 0.96, RMSD 1.00 Å
- 7AXY chain A against the predicted model P0A2U4: TM-score 0.96, RMSD 1.00 Å
- 7NL8 chain A against the predicted model P0A2U4: TM-score 0.96, RMSD 1.00 Å
- 7PEF chain A against the predicted model P0A2U4: TM-score 0.96, RMSD 1.03 Å
- 7PEF chain A against the predicted model P0A2U4: TM-score 0.96, RMSD 1.03 Å
- 7PE0 chain A against the predicted model P0A2U4: TM-score 0.96, RMSD 1.03 Å
Elsewhere
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