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Ligand clusters for UniProt code Q40577

Ligand clusters for Q40577: 5-epi-aristolochene synthase from Nicotiana tabacum

4 ligand clusters


Cluster 1. 21 ligand types 96 ligands		Cluster 2. 1 ligand type 1 ligand		Cluster 3. 1 ligand type 3 ligands		Cluster 4. 1 ligand type 1 ligand

Representative protein: 4rnqA

JSmol

Structures

PDB		Schematic diagram

4rnqA
5ik0A
5ilzA
4di5A
5iljA
		more ...

Cluster 1 contains 21 ligand types (of which only 20 are listed. Click for all)

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Ligand

Description

_Mg

1. Metal: _MG × 58

PDB codes: 1hx9(A), 1hxa(A), 1hxg(A), 3lz9(A), 3m00(A), 3m01(A), 3m02(A), 4di5(A), 4rnq(A), 5dhi(A), 5dhk(A), 5eas(A), 5eat(A), 5eau(A), 5ik0(A), 5ik6(A), 5ik9(A), 5ika(A), 5ikh(A), 5il3(A), 5ild(A), 5ili(A), 5ily(A),

2. Ligand: FFF × 1

Trifluorofurnesyl diphosphate

PDB code: 5eau(A).

3. Ligand: FHP × 4

1-Hydroxy-3,7,11-Trimethyldodeca-2,6,10-Triene phosphonic acid

PDB codes: 1hx9(A), 1hxa(A), 1hxc(A), 5eat(A).

4. Ligand: DPO × 5

Diphosphate

PDB codes: 4di5(A), 4rnq(A), 5ik6(A), 5ika(A), 5ily(A).

_Ca

5. Metal: _CA × 4

PDB codes: 5il8(A), 5ilh(A),

6. Ligand: 1GA × 2

Geraniline

PDB codes: 4di5(A), 4rnq(A).

7. Ligand: 2CF × 2

(2e,6e)-2-Fluoro-3,7,11-Trimethyldodeca-2,6,10-Trien-1- Yl trihydrogen diphosphate

PDB codes: 3m00(A), 3m02(A).

8. Ligand: 3CX × 2

(2s)-3-(Cyclohexylamino)-2-Hydroxypropane-1-Sulfonic acid

PDB codes: 5ilh(A), 5ili(A).

9. Ligand: 3FX × 2

(2r)-3-(Cyclohexylamino)-2-Hydroxypropane-1-Sulfonic acid

PDB codes: 5ilh(A), 5ili(A).

10. Ligand: 6BX × 2

(2s)-2-Hydroxy-3-(Morpholin-4-Yl)propane-1-Sulfonic acid

PDB codes: 5il3(A), 5il8(A).

11. Ligand: 6BY × 2

(2r)-2-Hydroxy-3-(Morpholin-4-Yl)propane-1-Sulfonic acid

PDB codes: 5il3(A), 5il8(A).

12. Ligand: BTB × 2

2-[Bis-(2-Hydroxy-Ethyl)-Amino]-2-Hydroxymethyl- Propane-1,3-Diol

PDB codes: 5ilj(A), 5ily(A).

13. Ligand: FPF × 2

(2z,6e)-2-Fluoro-3,7,11-Trimethyldodeca-2,6,10-Trien-1- Yl trihydrogen diphosphate

PDB codes: 3lz9(A), 3m01(A).

14. Ligand: 6BW × 1

(2r,5s,10r)-6,10-Dimethyl-2-(Prop-1-En-2-Yl) spiro[4.5]dec-6-Ene

PDB code: 5ikh(A).

15. Ligand: A4S × 1

(2e,6e)-3,7-Dimethyl-8-(Phenylamino)octa-2,6-Dien-1-Yl trihydrogen diphosphate

PDB code: 4rnq(A).

16. Ligand: B3P × 1

2-[3-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)- Propylamino]-2-Hydroxymethyl-Propane-1,3-Diol

PDB code: 5ilz(A).

17. Ligand: CRE × 1

Germacrene a

PDB code: 5ik6(A).

18. Ligand: FAR × 1

Farnesyl

PDB code: 5dhk(A).

19. Ligand: FJP × 1

(2e,6z)-3,7,11-Trimethyldodeca-2,6,10-Trien-1-Yl dihydrogen phosphate

PDB code: 5ik9(A).

20. Ligand: FPP × 1

Farnesyl diphosphate

PDB code: 5ik0(A).

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