UniProt Q9UM07
Protein-arginine deiminase type-4 (Q9UM07)
Protein-arginine deiminase type-4 (UniProt Q9UM07), EC 3.5.3.15: 41 experimental structures and 1 predicted model on GenesisL1, 7 ligands bound, 82 pockets. Binding sites, druggability and experiment against prediction (TM-score)…
- UniProt
- Q9UM07
- Protein
- Protein-arginine deiminase type-4
- EC
- 3.5.3.15
- Experimental structures
- 41
- Predicted models
- 1
- Ligands
- 7
- Pockets
- 82 · 9 records with a druggable one
Structures
42 records of Q9UM07 in the MolNFT archive: 41 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1WD8 | Calcium free form of human peptidylarginine deiminase type4 (PAD4) | x-ray diffraction | A | — | — |
| 1WD8 | Calcium free form of human peptidylarginine deiminase TYPE4 (PAD4) | x-ray diffraction | A | — | — |
| 1WD9 | Calcium bound form of human peptidylarginine deiminase type4 (PAD4) | x-ray diffraction | A | — | — |
| 1WD9 | Calcium bound form of human peptidylarginine deiminase TYPE4 (PAD4) | x-ray diffraction | A | — | — |
| 1WDA | Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with… | x-ray diffraction | A | — | — |
| 1WDA | Crystal structure of human peptidylarginine deiminase TYPE4 (PAD4) in complex with… | x-ray diffraction | A | — | — |
| 2DEW | Crystal structure of human peptidylarginine deiminase 4 in complex with histone H3 N-terminal tail… | x-ray diffraction | X | — | — |
| 2DEW | Crystal structure of human peptidylarginine deiminase 4 in complex with histone H3 N-terminal tail… | x-ray diffraction | X | — | — |
| 2DEX | Crystal structure of human peptidylarginine deiminase 4 in complex with histone H3 N-terminal… | x-ray diffraction | X | — | — |
| 2DEX | Crystal structure of human peptidylarginine deiminase 4 in complex with histone H3 N-terminal… | x-ray diffraction | X | — | — |
| 2DEY | Crystal structure of human peptidylarginine deiminase 4 in complex with histone H4 N-terminal tail… | x-ray diffraction | X | — | — |
| 2DEY | Crystal structure of human peptidylarginine deiminase 4 in complex with histone H4 N-terminal tail… | x-ray diffraction | X | — | — |
| 2DW5 | Crystal structure of human peptidylarginine deiminase 4 in complex with… | x-ray diffraction | A | — | — |
| 2DW5 | Crystal structure of human peptidylarginine deiminase 4 in complex with… | x-ray diffraction | A | — | — |
| 3APM | Crystal structure of the human SNP PAD4 protein | x-ray diffraction | A | — | — |
| 3APM | Crystal structure of the human SNP PAD4 protein | x-ray diffraction | A | — | — |
| 3APN | Crystal structure of the human wild-type PAD4 protein | x-ray diffraction | A | — | — |
| 3APN | Crystal structure of the human wild-type PAD4 protein | x-ray diffraction | A | — | — |
| 3B1T | Crystal structure of human peptidylarginine deiminase 4 in complex with o-Cl-amidine | x-ray diffraction | A | — | — |
| 3B1T | Crystal structure of human peptidylarginine deiminase 4 in complex with O-cl-amidine | x-ray diffraction | A | — | — |
| 3B1U | Crystal structure of human peptidylarginine deiminase 4 in complex with o-F-amidine | x-ray diffraction | A | — | — |
| 3B1U | Crystal structure of human peptidylarginine deiminase 4 in complex with O-F-amidine | x-ray diffraction | A | — | — |
| 4DKT | Crystal structure of human peptidylarginine deiminase 4 in complex with… | x-ray diffraction | A | — | — |
| 4DKT | Crystal structure of human peptidylarginine deiminase 4 in complex with… | x-ray diffraction | A | — | — |
| 4X8C | Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK147 | x-ray diffraction | A | — | — |
| 4X8C | Crystal structure of human peptidylarginine deiminase TYPE4 (PAD4) in complex with GSK147 | x-ray diffraction | A | — | — |
| 4X8G | Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK199 | x-ray diffraction | A | — | — |
| 4X8G | Crystal structure of human peptidylarginine deiminase TYPE4 (PAD4) in complex with GSK199 | x-ray diffraction | A | — | — |
| 5N0M | hPAD4 crystal complex with BB-F-amidine | x-ray diffraction | A | SO4, CA, 8HT | — |
| 5N0M | HPAD4 crystal complex with bb-F-amidine | x-ray diffraction | A | SO4, CA, 8HT | — |
| 5N0Y | hPAD4 crystal complex with AFM-30a | x-ray diffraction | A | SO4, CA, 8FQ | 4 (best 0.52) |
| 5N0Y | HPAD4 crystal complex with afm-30A | x-ray diffraction | A | SO4, CA, 8FQ | — |
| 5N0Z | hPAD4 crystal complex with AFM-41a | x-ray diffraction | A | SO4, CA, 8FT | 4 (best 0.53) |
| 5N0Z | HPAD4 crystal complex with afm-41A | x-ray diffraction | A | SO4, CA, 8FT | — |
| 5N1B | hPAD4 crystal complex with AFM-14a | x-ray diffraction | A | SO4, CA, 8FW | 4 (best 0.59) |
| 5N1B | HPAD4 crystal complex with afm-14A | x-ray diffraction | A | SO4, CA, 8FW | — |
| 8GOD | Co-crystal structure of Human Protein-arginine deiminase type-4 (PAD4) with small molecule… | x-ray diffraction | A | K3X | 7 (best 0.76) |
| 8R8U | Human PADI4 in complex with cyclic peptide PADI4_3 | electron microscopy | A, B | CA | 13 (best 0.76) |
| 8R8V | Human PADI4 in complex with cyclic peptide PADI4_11 | electron microscopy | A, B | CA | 13 (best 0.73) |
| 8SMK | hPAD4 bound to Activating Fab hA362 | electron microscopy | A, D | CA | 16 (best 0.78) |
| 8SML | hPAD4 bound to inhibitory Fab hI365 | electron microscopy | A, D | CA | 18 (best 0.78) |
| Q9UM07 | AlphaFold monomer V2.0 prediction for protein-arginine deiminase type-4 (Q9UM07) | predicted | A | — | 3 (best 0.50) |
Ligands
- CA · Calcium ion · in 12 records
- SO4 · Sulfate ion · in 8 records
- 8FQ · ~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1,2-dihydroisoindole-4-carboxamide · in 2 records
- 8FT · 2-ethyl-~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxamide · in 2 records
- 8FW · ~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)-4-(ethanimidoylamino)butyl]-3-oxidanylidene-isoindole-4-carboxamide · in 2 records
- 8HT · ~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)-4-(2-fluoranylethanimidoylamino)butyl]-4-phenyl-benzamide · in 2 records
- K3X · [(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone · in 1 record
Experiment against prediction
- 3B1T chain A against the predicted model Q9UM07: TM-score 1.00, RMSD 0.56 Å
- 3B1T chain A against the predicted model Q9UM07: TM-score 1.00, RMSD 0.56 Å
- 2DW5 chain A against the predicted model Q9UM07: TM-score 0.99, RMSD 0.63 Å
- 2DW5 chain A against the predicted model Q9UM07: TM-score 0.99, RMSD 0.63 Å
- 3B1U chain A against the predicted model Q9UM07: TM-score 0.99, RMSD 0.64 Å
- 3B1U chain A against the predicted model Q9UM07: TM-score 0.99, RMSD 0.64 Å
- 1WD9 chain A against the predicted model Q9UM07: TM-score 0.99, RMSD 0.63 Å
- 1WD9 chain A against the predicted model Q9UM07: TM-score 0.99, RMSD 0.63 Å
- 2DEX chain X against the predicted model Q9UM07: TM-score 0.99, RMSD 0.65 Å
- 2DEX chain X against the predicted model Q9UM07: TM-score 0.99, RMSD 0.65 Å
Elsewhere
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