UniProt Q9Y4B6
DDB1- and CUL4-associated factor 1 (Q9Y4B6)
DDB1- and CUL4-associated factor 1 (UniProt Q9Y4B6), EC 2.7.11.1, 2.7.11.21: 49 experimental structures and 1 predicted model on GenesisL1, 25 ligands bound, 292 pockets. Binding sites, druggability and experiment against…
- UniProt
- Q9Y4B6
- Protein
- DDB1- and CUL4-associated factor 1
- EC
- 2.7.11.1, 2.7.11.21
- Experimental structures
- 49
- Predicted models
- 1
- Ligands
- 25
- Pockets
- 292 · 47 records with a druggable one
Structures
50 records of Q9Y4B6 in the MolNFT archive: 49 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3WA0 | Crystal structure of merlin complexed with DCAF1/VprBP | x-ray diffraction | G, H | — | 1 (best 0.80) |
| 3WA0 | Crystal structure of merlin complexed with DCAF1/VPRBP | x-ray diffraction | G, H | — | 1 (best 0.80) |
| 4CC9 | Crystal structure of human SAMHD1 (amino acid residues 582-626) bound to Vpx isolated from sooty… | x-ray diffraction | A | — | 4 (best 0.83) |
| 4CC9 | Crystal structure of human SAMHD1 (amino acid residues 582-626) bound to vpx isolated from sooty… | x-ray diffraction | A | — | 4 (best 0.83) |
| 4P7I | Crystal structure of the Merlin FERM/DCAF1 complex | x-ray diffraction | C, D | — | 2 (best 0.46) |
| 4P7I | Crystal structure of the merlin FERM/DCAF1 complex | x-ray diffraction | C, D | — | 2 (best 0.46) |
| 4PXW | Crystal structure of human DCAF1 WD40 repeats (Q1250L) | x-ray diffraction | A, B | UNX | 6 (best 0.80) |
| 4PXW | Crystal structure of human DCAF1 WD40 repeats (Q1250L) | x-ray diffraction | A, B | UNX | 6 (best 0.80) |
| 4Z8L | Crystal structure of DCAF1/SIV-MND VPX/MND SAMHD1 NTD ternary complex | x-ray diffraction | A, D | — | 11 (best 0.83) |
| 4Z8L | Crystal structure of DCAF1/SIV-mnd VPX/MND SAMHD1 ntd ternary complex | x-ray diffraction | A, D | — | 11 (best 0.83) |
| 5AJA | Crystal structure of mandrill SAMHD1 (amino acid residues 1-114) bound to Vpx isolated from… | x-ray diffraction | A | — | 4 (best 0.83) |
| 5AJA | Crystal structure of mandrill SAMHD1 (amino acid residues 1-114) bound to vpx isolated from… | x-ray diffraction | A | — | 4 (best 0.83) |
| 5JK7 | The X-ray structure of the DDB1-DCAF1-Vpr-UNG2 complex | x-ray diffraction | C, E | — | 12 (best 0.86) |
| 5JK7 | The X-ray structure of the DDB1-DCAF1-vpr-UNG2 complex | x-ray diffraction | C, E | — | 12 (best 0.86) |
| 6N45 | Crystal structure of the cryptic polo box domain of human activated PLK4 variant 1 | x-ray diffraction | A, B | — | 2 (best 0.42) |
| 6ZUE | Crystal structure of human DDB1 bound to human DCAF1 (amino acid residues 1046-1396) | x-ray diffraction | B | — | 11 (best 0.80) |
| 6ZUE | Crystal structure of human DDB1 bound to human DCAF1 (amino acid residues 1046-1396) | x-ray diffraction | B | — | 11 (best 0.80) |
| 6ZX9 | Crystal structure of SIV Vpr,fused to T4 lysozyme, isolated from moustached monkey, bound to human… | x-ray diffraction | B | — | 11 (best 0.85) |
| 6ZX9 | Crystal structure of SIV VPR,FUSED to T4 lysozyme, isolated from moustached monkey, bound to human… | x-ray diffraction | B | — | 11 (best 0.85) |
| 7OKQ | Cryo-EM Structure of the DDB1-DCAF1-CUL4A-RBX1 Complex | electron microscopy | B, F, J, N | — | 7 (best 0.85) |
| 7OKQ | Cryo-EM structure of the DDB1-DCAF1-CUL4A-RBX1 complex | electron microscopy | B, F, J, N | — | 7 (best 0.85) |
| 7SSE | Crystal structure of the WDR domain of human DCAF1 in complex with CYCA-117-70 | x-ray diffraction | A, B | B1I | 5 (best 0.81) |
| 7SSE | Crystal structure of the wdr domain of human DCAF1 in complex with cyca-117-70 | x-ray diffraction | A, B | B1I | 5 (best 0.81) |
| 7UFV | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766 | x-ray diffraction | A, B | N6O, UNX | 4 (best 0.83) |
| 7UFV | Crystal structure of the wdr domain of human DCAF1 in complex with oicr-6766 | x-ray diffraction | A, B | N6O, UNX | 4 (best 0.83) |
| 7V7B | CryoEM structure of DDB1-VprBP complex in ARM-up conformation | electron microscopy | A, C | — | 16 (best 0.85) |
| 7V7B | Cryoem structure of DDB1-vprbp complex in arm-up conformation | electron microscopy | A, C | — | 16 (best 0.85) |
| 7V7C | CryoEM structure of DDB1-VprBP-Vpr-UNG2(94-313) complex | electron microscopy | A, E | — | 13 (best 0.85) |
| 7V7C | Cryoem structure of DDB1-vprbp-vpr-UNG2(94-313) complex | electron microscopy | A, E | — | 13 (best 0.85) |
| 8F8E | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound | x-ray diffraction | A, B | XJI | 4 (best 0.83) |
| 8OG5 | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 1 | x-ray diffraction | A | LQH | 3 (best 0.80) |
| 8OG6 | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 1 | x-ray diffraction | A | LQH | 2 (best 0.80) |
| 8OG7 | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 2 | x-ray diffraction | A | VMR | 2 (best 0.80) |
| 8OG8 | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 3 | x-ray diffraction | A | VM8 | 2 (best 0.80) |
| 8OG9 | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 4 | x-ray diffraction | A | VM3 | 3 (best 0.82) |
| 8OGA | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 6 | x-ray diffraction | P | VLW | 3 (best 0.81) |
| 8OGB | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 8 | x-ray diffraction | A | VN5 | 2 (best 0.82) |
| 8OGC | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 11 | x-ray diffraction | A | MG, VMZ | 2 (best 0.81) |
| 8OO5 | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 13 | x-ray diffraction | P | VUF | 1 (best 0.82) |
| 8OOD | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 15 | x-ray diffraction | A | MG, VY3 | 2 (best 0.81) |
| 9B9H | Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-40333 | x-ray diffraction | B | A1AM2 | 3 (best 0.84) |
| 9B9T | Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-40407 | x-ray diffraction | B | A1ANM | 3 (best 0.84) |
| 9B9W | Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-40792 | x-ray diffraction | B | A1ANN | 3 (best 0.82) |
| 9BA2 | Crystal structure of the binary complex of DCAF1 and WDR5 | x-ray diffraction | A | — | 3 (best 0.85) |
| 9BHR | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound | x-ray diffraction | A, B | A1API | 6 (best 0.84) |
| 9BHS | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound | x-ray diffraction | A, B | A1APJ, UNL | 4 (best 0.84) |
| 9C1Q | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound | x-ray diffraction | A | A1ATT, UNX, NA, CL | 2 (best 0.80) |
| 9D4E | Crystal structure of the human DCAF1 WDR domain in complex with OICR-41103 | x-ray diffraction | A, B | A1A1Q | 6 (best 0.83) |
| 9DLW | Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-41114 | x-ray diffraction | B | A1BAF | 4 (best 0.83) |
| Q9Y4B6 | AlphaFold monomer V2.0 prediction for DDB1- and CUL4-associated factor 1 (Q9Y4B6) | predicted | A | — | 16 (best 0.84) |
Ligands
- UNX · Unknown atom or ion · in 5 records
- B1I · N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine · in 2 records
- LQH · 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline · in 2 records
- MG · Magnesium ion · in 2 records
- N6O · (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide · in 2 records
- A1A1Q · (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-1H-pyrrole-3-carboxamide · in 1 record
- A1AM2 · N-{(1P)-5'-({(17E)-18-[(3P)-4-{[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-16-oxo-3,6,9,12-tetraoxa-15-azaoctadec-17-en-1-yl}carbamoyl)-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide · in 1 record
- A1ANM · N-{(1P)-5'-[(17-{(4P)-4-[(2P)-4-{[(1R)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-1H-pyrazol-1-yl}-16-oxo-3,6,9,12-tetraoxa-15-azaheptadecan-1-yl)carbamoyl]-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide · in 1 record
- A1ANN · (4P)-N-[(1R)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(25E)-1-{(1P)-6-fluoro-3'-[4-fluoro-2-(trifluoromethyl)benzamido]-4'-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-1,24-dioxo-5,8,11,14,17,20-hexaoxa-2,23-diazahexacos-25-en-26-yl]-1H-pyrrole-3-carboxamide · in 1 record
- A1API · (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide · in 1 record
- A1APJ · (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrole-3-carboxamide · in 1 record
- A1ATT · (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(3-methoxyprop-1-yn-1-yl)-1H-pyrrole-3-carboxamide · in 1 record
- A1BAF · N-{(1P)-5'-({(32E)-33-[(3P)-4-{[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-31-oxo-3,6,9,12,15,18,21,24,27-nonaoxa-30-azatritriacont-32-en-1-yl}carbamoyl)-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide · in 1 record
- CL · Chloride ion · in 1 record
- NA · Sodium ion · in 1 record
- UNL · Unknown ligand · in 1 record
- VLW · 5-[1-(4-methoxyphenyl)cyclopropyl]-8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline · in 1 record
- VM3 · 5-[1-(4-chlorophenyl)cyclopropyl]imidazo[2,1-a]isoquinoline · in 1 record
- VM8 · 5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline · in 1 record
- VMR · (4~{R})-4-[3-(4-chloranylphenoxy)phenyl]pyrrolidin-2-imine · in 1 record
- VMZ · 1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]ethanone · in 1 record
- VN5 · ~{N}'-[2-[1-(4-methoxyphenyl)cyclopropyl]-7-(4-methylpiperazin-1-yl)quinazolin-4-yl]ethane-1,2-diamine · in 1 record
- VUF · 1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclohexyl]quinazolin-7-yl]piperazin-1-yl]ethanone · in 1 record
- VY3 · ~{N}-[2-[2-[2-[2-[2-[2-[3-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamide · in 1 record
- XJI · (3P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-3-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide · in 1 record
Experiment against prediction
- 7UFV chain B against the predicted model Q9Y4B6: TM-score 0.99, RMSD 0.52 Å
- 7UFV chain B against the predicted model Q9Y4B6: TM-score 0.99, RMSD 0.52 Å
- 7SSE chain B against the predicted model Q9Y4B6: TM-score 0.99, RMSD 0.53 Å
- 7SSE chain B against the predicted model Q9Y4B6: TM-score 0.99, RMSD 0.53 Å
- 9BHS chain B against the predicted model Q9Y4B6: TM-score 0.99, RMSD 0.58 Å
- 4PXW chain A against the predicted model Q9Y4B6: TM-score 0.99, RMSD 0.58 Å
- 4PXW chain A against the predicted model Q9Y4B6: TM-score 0.99, RMSD 0.58 Å
- 9D4E chain B against the predicted model Q9Y4B6: TM-score 0.99, RMSD 0.60 Å
- 8F8E chain A against the predicted model Q9Y4B6: TM-score 0.99, RMSD 0.60 Å
- 4PXW chain B against the predicted model Q9Y4B6: TM-score 0.99, RMSD 0.61 Å
Elsewhere
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