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Ligand clusters for UniProt code A2QHE5

Ligand clusters for A2QHE5: Ferulic acid decarboxylase 1 OS=Aspergillus niger (strain CBS 513.88 / FGSC A1513) OX=425011 GN=fdc1 PE=1 SV=1

3 ligand clusters


Cluster 1. 24 ligand types 116 ligands		Cluster 2. 1 ligand type 1 ligand		Cluster 3. 1 ligand type 32 ligands

Representative protein: 4za4A

Structures

PDB		Schematic diagram

4za4A
4zaaA
6evcA
6r30A
4za5A
		more ...

Cluster 1 contains 24 ligand types (of which only 20 are listed. Click for all)

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Ligand

Description

_Mn

1. Metal: _MN × 33

PDB codes: 4za4(A), 4za5(A), 4za7(A), 4za8(A), 4za9(A), 4zaa(A), 4zab(A), 6ev3(A), 6ev4(A), 6ev5(A), 6ev6(A), 6ev7(A), 6ev8(A), 6ev9(A), 6eva(A), 6evb(A), 6evc(A), 6evd(A), 6r2p(A), 6r2r(A), 6r2t(A), 6r2z(A), 6r30(A), 6r32(A), 6r33(A), 6r34(A), 6r3f(A), 6r3g(A), 6r3i(A), 6r3j(A), 6r3l(A), 6r3n(A), 6r3o(A).

__K

2. Metal: __K × 33

3. Ligand: FMN × 1

flavin mononucleotide

Flavin mononucleotide

PDB code: 6r2p(A).

4. Ligand: 4LU × 9

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

PDB codes: 4za4(A), 4zab(A), 6ev3(A), 6ev4(A), 6ev7(A), 6evb(A), 6evc(A), 6r2t(A), 6r3o(A).

5. Ligand: BYN × 7

Hydroxylated prenyl-Fmn

PDB codes: 6ev5(A), 6ev6(A), 6ev8(A), 6ev9(A), 6evd(A), 6r3l(A), 6r3n(A).

6. Ligand: JQ8 × 5

Phenylpropiolic acid

PDB codes: 6r2t(A), 6r30(A), 6r3o(A),

7. Ligand: 4LU-FZZ × 4

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, 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.

PDB codes: 4za5(A), 4za7(A), 4za8(A), 4zaa(A).

8. Ligand: FZZ × 3

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

PDB codes: 4zab(A), 6ev3(A), 6ev6(A).

9. Ligand: JQZ × 3

Prfmn cofactor and phenylpropiolic acid

PDB codes: 6r2z(A), 6r30(A), 6r32(A).

10. Ligand: 4MJ × 2

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

PDB codes: 4za9(A), 6eva(A).

11. Ligand: F5C × 2

Penta-Fluorocinnamic acid

PDB codes: 4za8(A), 6evc(A).

12. Ligand: JQH × 2

Prfmn cofactor and phenylpropiolic acid adduct

PDB codes: 6r33(A), 6r34(A).

13. Ligand: 4LV × 1

(2e)-2-Methyl-3-Phenylprop-2-Enoic acid

PDB code: 4za7(A).

14. Ligand: 4LW × 1

(2z)-2-Fluoro-3-Phenylprop-2-Enoic acid

PDB code: 4zab(A).

15. Ligand: 4M4 × 1

2-Methoxy-4-Vinylphenol

PDB code: 4zaa(A).

16. Ligand: BYN-4LW × 1

BYN=Hydroxylated prenyl-Fmn, 4LW=(2z)-2-Fluoro-3-Phenylprop-2-Enoic acid.

PDB code: 6r2r(A).

17. Ligand: JQK × 1

[(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

PDB code: 6r3f(A).

18. Ligand: JQQ × 1

[(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

PDB code: 6r3g(A).

19. Ligand: JRH × 1

Prfmn cofactor and crotonic acid adduct

PDB code: 6r3j(A).

20. Ligand: JRK × 1

Prfmn cofactor and butynoic acid adduct

PDB code: 6r3n(A).

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Cluster 3 contains 1 ligand type

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