UniProt A2QHE5
Ferulic acid decarboxylase 1 (A2QHE5)
Ferulic acid decarboxylase 1 (UniProt A2QHE5), EC 4.1.1.102, 4.1.1.61: 73 experimental structures and 1 predicted model on GenesisL1, 25 ligands bound, 119 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- A2QHE5
- Protein
- Ferulic acid decarboxylase 1
- EC
- 4.1.1.102, 4.1.1.61
- Experimental structures
- 73
- Predicted models
- 1
- Ligands
- 25
- Pockets
- 119 · 34 records with a druggable one
Structures
74 records of A2QHE5 in the MolNFT archive: 73 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4ZA4 | Structure of A. niger Fdc1 with the prenylated-flavin cofactor in the iminium form. | x-ray diffraction | A | — | — |
| 4ZA4 | Structure of a. niger FDC1 with the prenylated-flavin cofactor in the iminium form. | x-ray diffraction | A | — | — |
| 4ZA5 | Structure of A. niger Fdc1 with the prenylated-flavin cofactor in the iminium and ketimine forms. | x-ray diffraction | A | — | — |
| 4ZA5 | Structure of a. niger FDC1 with the prenylated-flavin cofactor in the iminium and ketimine forms. | x-ray diffraction | A | — | — |
| 4ZA7 | Structure of A. niger Fdc1 in complex with alpha-methyl cinnamic acid | x-ray diffraction | A | 4LU, FZZ, MN, K, 4LV | 4 (best 0.85) |
| 4ZA7 | Structure of a. niger FDC1 in complex with alpha-methyl cinnamic acid | x-ray diffraction | A | — | — |
| 4ZA8 | Crystal structure of A niger Fdc1 in complex with penta-fluorocinnamic acid | x-ray diffraction | A | — | — |
| 4ZA8 | Crystal structure of a niger FDC1 in complex with penta-fluorocinnamic acid | x-ray diffraction | A | — | — |
| 4ZA9 | Structure of A. niger fdc1 in complex with a phenylpyruvate derived adduct to the prenylated flavin… | x-ray diffraction | A | — | — |
| 4ZA9 | Structure of a. niger FDC1 in complex with a phenylpyruvate derived adduct to the prenylated flavin… | x-ray diffraction | A | — | — |
| 4ZAA | Structure of A. niger Fdc1 in complex with 4-vinyl guaiacol | x-ray diffraction | A | — | — |
| 4ZAA | Structure of a. niger FDC1 in complex with 4-vinyl guaiacol | x-ray diffraction | A | — | — |
| 4ZAB | Structure of A. niger Fdc1 in complex with alpha-fluoro cinnamic acid | x-ray diffraction | A | 4LU, FZZ, MN, K, 4LW | 4 (best 0.85) |
| 4ZAB | Structure of a. niger FDC1 in complex with alpha-fluoro cinnamic acid | x-ray diffraction | A | — | — |
| 6EV3 | Structure of wild type A. niger Fdc1 that has been illuminated with UV light, with prFMN in the… | x-ray diffraction | A | 4LU, MN, K, FZZ | 3 (best 0.86) |
| 6EV3 | Structure of wild type a. niger FDC1 that has been illuminated with UV light, with prfmn in the… | x-ray diffraction | A | 4LU, MN, K, FZZ | — |
| 6EV4 | Structure of wild type A. niger Fdc1 purified in the dark with prFMN in the iminium form | x-ray diffraction | A | 4LU, MN, K | 4 (best 0.85) |
| 6EV4 | Structure of wild type a. niger FDC1 purified in the dark with prfmn in the iminium form | x-ray diffraction | A | 4LU, MN, K | — |
| 6EV5 | Crystal structure of E282Q A. niger Fdc1 with prFMN in the hydroxylated form | x-ray diffraction | A | MN, K, BYN, SCN | 5 (best 0.85) |
| 6EV5 | Crystal structure of E282Q a. niger FDC1 with prfmn in the hydroxylated form | x-ray diffraction | A | MN, K, BYN, SCN | — |
| 6EV6 | Structure of E282Q A. niger Fdc1 with prFMN in the hydroxylated and ketimine forms | x-ray diffraction | A | MN, K, FZZ, BYN | 2 (best 0.86) |
| 6EV6 | Structure of E282Q a. niger FDC1 with prfmn in the hydroxylated and ketimine forms | x-ray diffraction | A | MN, K, FZZ, BYN | — |
| 6EV7 | Structure of E282D A. niger Fdc1 with prFMN in the iminium form | x-ray diffraction | A | MN, K, 4LU | — |
| 6EV7 | Structure of E282D a. niger FDC1 with prfmn in the iminium form | x-ray diffraction | A | MN, K, 4LU | — |
| 6EV8 | Structure of E277Q A. niger Fdc1 with prFMN in the hydroxylated form | x-ray diffraction | A | MN, K, BYN, SCN | 4 (best 0.85) |
| 6EV8 | Structure of E277Q a. niger FDC1 with prfmn in the hydroxylated form | x-ray diffraction | A | MN, K, BYN, SCN | — |
| 6EV9 | Structure of E277D A. niger Fdc1 with prFMN in the hydroxylated form | x-ray diffraction | A | MN, K, BYN | 2 (best 0.86) |
| 6EV9 | Structure of E277D a. niger FDC1 with prfmn in the hydroxylated form | x-ray diffraction | A | MN, K, BYN | — |
| 6EVA | Structure of E277Q A. niger fdc1 in complex with a phenylpyruvate derived adduct to the prenylated… | x-ray diffraction | A | MN, K, 4MJ | 4 (best 0.86) |
| 6EVA | Structure of E277Q a. niger FDC1 in complex with a phenylpyruvate derived adduct to the prenylated… | x-ray diffraction | A | MN, K, 4MJ | — |
| 6EVB | Structure of E282Q A. niger Fdc1 with prFMN in the iminium form | x-ray diffraction | A | 4LU, MN, K, SCN | — |
| 6EVB | Structure of E282Q a. niger FDC1 with prfmn in the iminium form | x-ray diffraction | A | 4LU, MN, K, SCN | — |
| 6EVC | Structure of E282Q A. niger Fdc1 in complex with pentafluoro-cinnamic acid | x-ray diffraction | A | 4LU, MN, K, F5C | 3 (best 0.85) |
| 6EVC | Structure of E282Q a. niger FDC1 in complex with pentafluoro-cinnamic acid | x-ray diffraction | A | 4LU, MN, K, F5C | — |
| 6EVD | Structure of R173A A. niger Fdc1 with prFMN in the hydroxylated form | x-ray diffraction | A | MN, K, BYN | 2 (best 0.84) |
| 6EVD | Structure of R173A a. niger FDC1 with prfmn in the hydroxylated form | x-ray diffraction | A | MN, K, BYN | — |
| 6R2P | Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with FMN and cinnamic acid | x-ray diffraction | A | FMN, MN, K, TCA | 3 (best 0.85) |
| 6R2P | Aspergillus niger ferulic acid decarboxylase (fdc) in complex with FMN and cinnamic acid | x-ray diffraction | A | FMN, MN, K, TCA | — |
| 6R2R | Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with prFMN (purified in dark) and… | x-ray diffraction | A | MN, K, BYN, 4LW | 3 (best 0.85) |
| 6R2R | Aspergillus niger ferulic acid decarboxylase (fdc) in complex with prfmn (purified in dark) and… | x-ray diffraction | A | MN, K, BYN, 4LW | — |
| 6R2T | Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with prFMN (purified in the radical… | x-ray diffraction | A | 4LU, MN, K, JQ8 | 4 (best 0.86) |
| 6R2T | Aspergillus niger ferulic acid decarboxylase (fdc) in complex with prfmn (purified in the radical… | x-ray diffraction | A | 4LU, MN, K, JQ8 | — |
| 6R32 | Aspergillus niger ferrulic acid decarboxylase (Fdc) in complex with the covalent adduct formed… | x-ray diffraction | A | MN, K, JQZ | 3 (best 0.86) |
| 6R32 | Aspergillus niger ferrulic acid decarboxylase (fdc) in complex with the covalent adduct formed… | x-ray diffraction | A | MN, K, JQZ | — |
| 6R33 | Aspergillus niger ferulic acid decarboxylase (Fdc)in complex with the covalent adduct formed… | x-ray diffraction | A | MN, K, JQH | 3 (best 0.85) |
| 6R33 | Aspergillus niger ferulic acid decarboxylase (FDC)IN complex with the covalent adduct formed… | x-ray diffraction | A | MN, K, JQH | — |
| 6R34 | Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with the covalent adduct formed… | x-ray diffraction | A | MN, K, JQH | 3 (best 0.86) |
| 6R34 | Aspergillus niger ferulic acid decarboxylase (fdc) in complex with the covalent adduct formed… | x-ray diffraction | A | MN, K, JQH | — |
| 6R3F | Aspergillus niger ferulic acid decarboxylase (Fdc) E282Q variant in complex with the covalent… | x-ray diffraction | A | MN, K, JQK | 4 (best 0.85) |
| 6R3F | Aspergillus niger ferulic acid decarboxylase (fdc) E282Q variant in complex with the covalent… | x-ray diffraction | A | MN, K, JQK | — |
| 6R3G | Aspergillus niger ferulic acid decarboxylase (Fdc) E282Q variant in complex with the covalent… | x-ray diffraction | A | MN, K, JQQ | 3 (best 0.83) |
| 6R3G | Aspergillus niger ferulic acid decarboxylase (fdc) E282Q variant in complex with the covalent… | x-ray diffraction | A | MN, K, JQQ | — |
| 6R3I | Aspergillus niger ferulic acid decarboxylase (Fdc) E282Q variant in complex with the covalent… | x-ray diffraction | A | MN, K, JRN | 4 (best 0.85) |
| 6R3I | Aspergillus niger ferulic acid decarboxylase (fdc) E282Q variant in complex with the covalent… | x-ray diffraction | A | MN, K, JRN | — |
| 6R3J | Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with the covalent adduct formed… | x-ray diffraction | A | JRH, MN, K | 3 (best 0.85) |
| 6R3J | Aspergillus niger ferulic acid decarboxylase (fdc) in complex with the covalent adduct formed… | x-ray diffraction | A | JRH, MN, K | — |
| 6R3L | Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with the covalent adduct formed… | x-ray diffraction | A | MN, K, JSH, BYN, SYN | 5 (best 0.85) |
| 6R3L | Aspergillus niger ferulic acid decarboxylase (fdc) in complex with the covalent adduct formed… | x-ray diffraction | A | MN, K, JSH, BYN, SYN | — |
| 6R3N | Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with the covalent adduct formed… | x-ray diffraction | A | JRK, BYN, MN, K | 3 (best 0.85) |
| 6R3N | Aspergillus niger ferulic acid decarboxylase (fdc) in complex with the covalent adduct formed… | x-ray diffraction | A | JRK, BYN, MN, K | — |
14 records more on the page itself.
Ligands
- K · Potassium ion · in 61 records
- MN · Manganese (II) ion · in 61 records
- BYN · hydroxylated prenyl-FMN · in 22 records
- 4LU · 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-yl)-D-ribitol · in 18 records
- SCN · Thiocyanate ion · in 10 records
- FZZ · 1-deoxy-5-O-phosphono-1-[(10AR)-2,2,3,4-tetramethyl-8, 10-dioxo-1,2,8,9,10,10A-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol · in 6 records
- FMN · Flavin mononucleotide · in 5 records
- JQH · prFMN cofactor and phenylpropiolic acid adduct · in 4 records
- 4LW · (2Z)-2-fluoro-3-phenylprop-2-enoic acid · in 3 records
- 4MJ · 1-deoxy-5-O-phosphono-1-[(1S)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1H,7H-quinolino[1,8-fg]pteridin-7-yl]-D-ribitol · in 2 records
- F5C · penta-fluorocinnamic acid · in 2 records
- ICB · 1H-indole-2-carboxylic acid · in 2 records
- JQ8 · phenylpropiolic acid · in 2 records
- JQK · [(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[(16~{R})-11,12,14,14-tetramethyl-5-oxidanyl-3-oxidanylidene-16-(2-phenylethyl)-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2, 7}.0^{13,17}]heptadeca-2(7),5,9(17),10,12-pentaen-8-yl]pentyl] dihydrogen phosphate · in 2 records
- JQQ · [(2~{R},3~{S},4~{S})-5-[(16~{S})-16-[(1~{S})-1-fluoranyl-2-phenyl-ethyl]-11,12,14,14-tetramethyl-5-oxidanyl-3-oxidanylidene-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9(17),10,12-pentaen-8-yl]-2,3,4-tris(oxidanyl) pentyl] dihydrogen phosphate · in 2 records
- JQZ · prFMN cofactor and phenylpropiolic acid · in 2 records
- JRH · prFMN cofactor and crotonic acid adduct · in 2 records
- JRK · prFMN cofactor and butynoic acid adduct · in 2 records
- JRN · prFMN cofactor and pentafluorocinnamic acid adduct · in 2 records
- JSH · prFMN cofactor and cinnamic acid adduct · in 2 records
- ND8 · benzothiophene 2 carboxylic acid · in 2 records
- SYN · ethenylbenzene · in 2 records
- TCA · Phenylethylenecarboxylic acid · in 2 records
- 4LV · (2E)-2-methyl-3-phenylprop-2-enoic acid · in 1 record
- FIV · naphthalene-2-carboxylic acid · in 1 record
Experiment against prediction
- 7NF4 chain B against the predicted model A2QHE5: TM-score 1.00, RMSD 0.42 Å
- 7NF4 chain B against the predicted model A2QHE5: TM-score 1.00, RMSD 0.42 Å
- 6EVB chain A against the predicted model A2QHE5: TM-score 0.99, RMSD 0.67 Å
- 6EVB chain A against the predicted model A2QHE5: TM-score 0.99, RMSD 0.67 Å
- 6TIN chain AAA against the predicted model A2QHE5: TM-score 0.99, RMSD 0.68 Å
- 6TIL chain AAA against the predicted model A2QHE5: TM-score 0.99, RMSD 0.68 Å
- 6TIO chain AAA against the predicted model A2QHE5: TM-score 0.99, RMSD 0.68 Å
- 6EV9 chain A against the predicted model A2QHE5: TM-score 0.99, RMSD 0.69 Å
- 6EV9 chain A against the predicted model A2QHE5: TM-score 0.99, RMSD 0.69 Å
- 4ZA9 chain A against the predicted model A2QHE5: TM-score 0.99, RMSD 0.69 Å
Elsewhere
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