UniProt P13569
Cystic fibrosis transmembrane conductance regulator (P13569)
Cystic fibrosis transmembrane conductance regulator (UniProt P13569), EC 3.6.3.49, 5.6.1.6: 73 experimental structures and 1 predicted model on GenesisL1, 29 ligands bound, 187 pockets. Binding sites, druggability and experiment…
- UniProt
- P13569
- Protein
- Cystic fibrosis transmembrane conductance regulator
- EC
- 3.6.3.49, 5.6.1.6
- Experimental structures
- 73
- Predicted models
- 1
- Ligands
- 29
- Pockets
- 187 · 12 records with a druggable one
Structures
74 records of P13569 in the MolNFT archive: 73 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1XMI | Crystal structure of human F508A NBD1 domain with ATP | x-ray diffraction | A, B, C, D, E | — | — |
| 1XMI | Crystal structure of human F508A NBD1 domain with ATP | x-ray diffraction | A, B, C, D, E | — | — |
| 1XMJ | Crystal structure of human deltaF508 human NBD1 domain with ATP | x-ray diffraction | A | — | — |
| 1XMJ | Crystal structure of human DELTAF508 human NBD1 domain with ATP | x-ray diffraction | A | — | — |
| 2BBO | Human NBD1 with Phe508 | x-ray diffraction | A | — | — |
| 2BBO | Human NBD1 with PHE508 | x-ray diffraction | A | — | — |
| 2BBS | Human deltaF508 NBD1 with three solubilizing mutations | x-ray diffraction | A, B | — | — |
| 2BBS | Human DELTAF508 NBD1 with three solubilizing mutations | x-ray diffraction | A, B | — | — |
| 2BBT | Human deltaF508 NBD1 with two solublizing mutations. | x-ray diffraction | A, B | — | — |
| 2BBT | Human DELTAF508 NBD1 with two solublizing mutations. | x-ray diffraction | A, B | — | — |
| 2LOB | PDZ Domain of CAL (Cystic Fibrosis Transmembrane Regulator-Associated Ligand) | solution nmr | B | — | — |
| 2LOB | PDZ domain of cal (cystic fibrosis transmembrane regulator-associated ligand) | solution nmr | B | — | — |
| 2PZE | Minimal human CFTR first nucleotide binding domain as a head-to-tail dimer | x-ray diffraction | A, B | — | — |
| 2PZE | Minimal human cftr first nucleotide binding domain as a head-to-tail dimer | x-ray diffraction | A, B | — | — |
| 2PZF | Minimal human CFTR first nucleotide binding domain as a head-to-tail dimer with delta F508 | x-ray diffraction | A, B | — | — |
| 2PZF | Minimal human cftr first nucleotide binding domain as a head-to-tail dimer with delta F508 | x-ray diffraction | A, B | — | — |
| 2PZG | Minimal human CFTR first nucleotide binding domain as a monomer | x-ray diffraction | A, B | — | — |
| 2PZG | Minimal human cftr first nucleotide binding domain as a monomer | x-ray diffraction | A, B | — | — |
| 3GD7 | Crystal structure of human NBD2 complexed with N6-Phenylethyl-ATP (P-ATP) | x-ray diffraction | A, B, C, D | — | — |
| 3GD7 | Crystal structure of human NBD2 complexed with N6-phenylethyl-ATP (P- ATP) | x-ray diffraction | A, B, C, D | — | — |
| 3ISW | Crystal structure of filamin-A immunoglobulin-like repeat 21 bound to an N-terminal peptide of CFTR | x-ray diffraction | C | — | — |
| 3ISW | Crystal structure of filamin-a immunoglobulin-like repeat 21 bound to an N-terminal peptide of cftr | x-ray diffraction | C | — | — |
| 4WZ6 | Human CFTR aa389-678 (NBD1), deltaF508 with three solubilizing mutations, bound ATP | x-ray diffraction | A | — | — |
| 4WZ6 | Human cftr AA389-678 (NBD1), DELTAF508 with three solubilizing mutations, bound ATP | x-ray diffraction | A | — | — |
| 5D2D | Crystal structure of human 14-3-3 zeta in complex with CFTR R-domain peptide pS753-pS768 | x-ray diffraction | C | — | — |
| 5D2D | Crystal structure of human 14-3-3 zeta in complex with cftr R-domain peptide PS753-PS768 | x-ray diffraction | C | — | — |
| 5D3E | Crystal structure of human 14-3-3 gamma in complex with CFTR R-domain peptide pS768-pS795 | x-ray diffraction | C, G, K | — | 7 (best 0.63) |
| 5D3E | Crystal structure of human 14-3-3 gamma in complex with cftr R-domain peptide PS768-PS795 | x-ray diffraction | C, G, K | — | — |
| 5D3F | Crystal structure of human 14-3-3 zeta in complex with CFTR R-domain peptide pS753-pS768 and… | x-ray diffraction | C | FSC | 6 (best 0.65) |
| 5D3F | Crystal structure of human 14-3-3 zeta in complex with cftr R-domain peptide PS753-PS768 and… | x-ray diffraction | C | — | — |
| 5TF7 | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (cftr)… | x-ray diffraction | A | MG, ATP | — |
| 5TF8 | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR)… | x-ray diffraction | A | TTP, MG | — |
| 5TF8 | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (cftr)… | x-ray diffraction | A | TTP, MG | — |
| 5TFA | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR)… | x-ray diffraction | A | DUT, MG | 1 (best 0.25) |
| 5TFA | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (cftr)… | x-ray diffraction | A | DUT, MG | — |
| 5TFB | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR)… | x-ray diffraction | A | MG, MGP | 1 (best 0.27) |
| 5TFB | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (cftr)… | x-ray diffraction | A | MG, MGP | — |
| 5TFC | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (cftr)… | x-ray diffraction | A | MG, GTP | — |
| 5TFD | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (cftr)… | x-ray diffraction | A | MG, CTP | — |
| 5TFF | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (cftr)… | x-ray diffraction | A | MG, UTP | — |
| 5TFG | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (cftr)… | x-ray diffraction | A | MG, M5T | — |
| 5TFI | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR)… | x-ray diffraction | A | MG, DGT | — |
| 5TFI | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (cftr)… | x-ray diffraction | A | MG, DGT | — |
| 5TFJ | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (cftr)… | — | — | — | |
| 5TGK | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR)… | x-ray diffraction | A | MG, DTP | — |
| 5TGK | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (cftr)… | x-ray diffraction | A | MG, DTP | — |
| 5UAK | Dephosphorylated, ATP-free human cystic fibrosis transmembrane conductance regulator (CFTR) | electron microscopy | A | — | — |
| 5UAK | Dephosphorylated, ATP-free human cystic fibrosis transmembrane conductance regulator (cftr) | electron microscopy | A | — | — |
| 6HEP | Crystal structure of human 14-3-3 beta in complex with CFTR R-domain peptide pS753-pS768 | x-ray diffraction | E, F | — | 9 (best 0.70) |
| 6HEP | Crystal structure of human 14-3-3 beta in complex with cftr R-domain peptide PS753-PS768 | x-ray diffraction | E, F | — | — |
| 6MSM | Phosphorylated, ATP-bound human cystic fibrosis transmembrane conductance regulator (CFTR) | electron microscopy | A | MG, ATP, POV, CLR | 18 (best 0.90) |
| 6MSM | Phosphorylated, ATP-bound human cystic fibrosis transmembrane conductance regulator (cftr) | electron microscopy | A | MG, ATP, POV, CLR | — |
| 6O1V | Complex of human cystic fibrosis transmembrane conductance regulator (CFTR) and GLPG1837 | electron microscopy | A | LJP, MG, ATP, POV, CLR | 17 (best 0.89) |
| 6O1V | Complex of human cystic fibrosis transmembrane conductance regulator (cftr) and GLPG1837 | electron microscopy | A | LJP, MG, ATP, POV, CLR | — |
| 6O2P | Complex of ivacaftor with cystic fibrosis transmembrane conductance regulator (CFTR) | electron microscopy | A | MG, ATP, POV, AJP, VX7 | — |
| 6O2P | Complex of ivacaftor with cystic fibrosis transmembrane conductance regulator (cftr) | electron microscopy | A | MG, ATP, POV, AJP, VX7 | — |
| 6RQR | Extended NHERF1 PDZ2 domain in complex with the PDZ-binding motif of CFTR | x-ray diffraction | A, B | — | 2 (best 0.34) |
| 6RQR | Extended NHERF1 PDZ2 domain in complex with the PDZ-binding motif of cftr | x-ray diffraction | A, B | — | — |
| 6UK1 | Crystal structure of nucleotide-binding domain 2 (NBD2) of the human Cystic Fibrosis Transmembrane… | x-ray diffraction | A, B, C, D | ATP, MG | — |
| 6UK1 | Crystal structure of nucleotide-binding domain 2 (NBD2) of the human cystic fibrosis transmembrane… | x-ray diffraction | A, B, C, D | ATP, MG | — |
14 records more on the page itself.
Ligands
- MG · Magnesium ion · in 33 records
- ATP · Adenosine-5'-triphosphate · in 18 records
- CLR · Cholesterol · in 11 records
- POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate · in 7 records
- VX8 · Lumacaftor · in 4 records
- D12 · Dodecane · in 3 records
- VX7 · N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide · in 3 records
- AJP · Digitonin · in 2 records
- CV6 · Tezacaftor · in 2 records
- D10 · Decane · in 2 records
- DGT · 2'-deoxyguanosine-5'-triphosphate · in 2 records
- DTP · 2'-deoxyadenosine 5'-triphosphate · in 2 records
- DUT · Deoxyuridine-5'-triphosphate · in 2 records
- LJP · N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide · in 2 records
- MGP · 7-methyl-guanosine-5'-triphosphate · in 2 records
- TTP · Thymidine-5'-triphosphate · in 2 records
- UNX · Unknown atom or ion · in 2 records
- WJX · (6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide · in 2 records
- B44 · N-(2-phenylethyl)adenosine 5'-(tetrahydrogen triphosphate) · in 1 record
- C14 · Tetradecane · in 1 record
- CTP · Cytidine-5'-triphosphate · in 1 record
- FSC · Fusicoccin · in 1 record
- GTP · Guanosine-5'-triphosphate · in 1 record
- LBN · 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine · in 1 record
- M5T · 5-methyluridine triphosphate · in 1 record
- PJ8 · heptadecane · in 1 record
- Q95 · [2-(2-methylphenyl)sulfanylphenyl]methanamine · in 1 record
- UTP · Uridine 5'-triphosphate · in 1 record
- WG5 · 4-[(Z)-{(3M)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid · in 1 record
Experiment against prediction
- 6MSM chain A against the predicted model P13569: TM-score 0.97, RMSD 1.97 Å
- 6MSM chain A against the predicted model P13569: TM-score 0.97, RMSD 1.97 Å
- 6O2P chain A against the predicted model P13569: TM-score 0.97, RMSD 1.98 Å
- 6O2P chain A against the predicted model P13569: TM-score 0.97, RMSD 1.98 Å
- 7SV7 chain A against the predicted model P13569: TM-score 0.97, RMSD 1.99 Å
- 6O1V chain A against the predicted model P13569: TM-score 0.97, RMSD 2.00 Å
- 6O1V chain A against the predicted model P13569: TM-score 0.97, RMSD 2.00 Å
- 7SVD chain A against the predicted model P13569: TM-score 0.97, RMSD 1.99 Å
- 7SVD chain A against the predicted model P13569: TM-score 0.97, RMSD 1.99 Å
- 2PZF chain B against the predicted model P13569: TM-score 0.97, RMSD 1.15 Å
Elsewhere
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