Ligand clusters for UniProt code P30822

Ligand clusters for P30822: Exportin-1 from Saccharomyces cerevisiae (strain ATCC 204508 / S288c)

		Top 6 (of 37) ligand clusters Cluster 1. 13 ligand types 25 ligands Cluster 2. 3 ligand types 9 ligands Cluster 3. 3 ligand types 32 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 3 ligand types 8 ligands Cluster 6. 2 ligand types 2 ligands
Representative protein: 4gptC

Structures

PDB		Schematic diagram
4gptC
5jljC
5ysuC
5zpuC
4hazC
		more ...

Cluster 1 contains 13 ligand types

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 4gmx(C), 4gpt(C), 4hb2(C).
		2. Ligand: V6A × 2 selinexor Selinexor, Bound form PDB codes: 6xjs(C), 7l5e(C).
		3. Ligand: LMB × 4 Leptomycin b, Bound form PDB codes: 4hat(C), 4haw(C), 4hay(C), 4hb4(C).
		4. Ligand: 6L8 × 3 (2r)-3-{3-[3,5-Bis(trifluoromethyl)phenyl]-1h-1,2,4- Triazol-1-Yl}-2-(Pyrimidin-5-Yl)propanamide PDB codes: 5jlj(C), 6xjt(C), 6xju(C).
		5. Ligand: K85 × 3 Propan-2-Yl 3-{3-[3-Methoxy-5-(Trifluoromethyl)phenyl]- 1h-1,2,4-Triazol-1-Yl}propanoate PDB codes: 4gmx(C), 6xjp(C), 6xjr(C).
		6. Ligand: LBF × 2 Leptomycin b PDB codes: 4haz(C), 4hb0(C).
		7. Ligand: RJA × 2 Ratjadone a, Bound form PDB codes: 4hau(C), 4hax(C).
		8. Ligand: 51K × 1 2-(2-{3-[3,5-Bis(trifluoromethyl)phenyl]-1h-1,2,4- Triazol-1-Yl}ethyl)-1,3,4-Oxadiazole PDB code: 4gpt(C).
		9. Ligand: AA8 × 1 Anguinomycin a, Bound form PDB code: 4hav(C).
		10. Ligand: D29 × 1 (Z)-{[(3e)-4-{(R)-[3,5-Bis(trifluoromethyl) phenyl]sulfinyl}but-3-En-1-Yl]imino}methanethiol PDB code: 5zpu(C).
		11. Ligand: ILE-ASP-LEU-SER-GLY-LEU-THR-LEU-GLN × 1 PDB code: 5uwu(C).
		12. Ligand: LEU-ARG-ALA-LEU-GLU-ARG-LEU-GLN-ILE-ASP × 1 PDB code: 5uwo(C).
		13. Ligand: ODN × 1 (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14r, 16beta)-1,6,7,14-Tetrahydroxy-7,20- Epoxykauran-15-One PDB code: 6m6x(C).

Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 4 glycerin Glycerol PDB codes: 4gmx(C), 4gpt(C), 5yst(C),
		2. Ligand: EDO × 4 1,2-Ethanediol PDB codes: 4gmx(C), 4gpt(C), 4hat(C), 4hay(C).
		3. Ligand: THR-THR-SER-ALA-PHE-GLY-ALA-PRO × 1 PDB code: 5xoj(C).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 30 glycerin Glycerol PDB codes: 4gmx(C), 4gpt(C), 4hat(C), 4hau(C), 4haw(C), 4hax(C), 4hb2(C), 4hb4(C), 5dha(C), 5dhf(C), 5di9(C), 5dif(C), 5jlj(C), 5uwh(C), 5uwi(C), 5uwj(C), 5uwq(C), 5uwr(C), 5uws(C), 5uwu(C), 5uww(C), 5yro(C), 5yst(C), 5ytb(C), 6a38(C), 6a3a(C), 6a3b(C), 6a3c(C), 6cit(C), 6kft(C).
		2. Ligand: ALA-PHE-GLY-ALA-PRO-ALA-PHE × 1 PDB code: 5xoj(C).
		3. Ligand: NO3 × 1 Nitrate ion PDB code: 5ysu(C).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: SER-ALA-PHE-GLY-ALA-PRO-ALA-PHE-GLY × 1 PDB code: 5xoj(C).

Cluster 5 contains 3 ligand types

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Ligand		Description
		1. Ligand: EDO × 6 1,2-Ethanediol PDB codes: 4hat(C), 4hau(C), 4hax(C), 4hay(C), 4hb2(C), 4hb4(C).
		2. Ligand: F2X × 1 (2~{r})-2-Methyl-5-Oxidanyl-2,3-Dihydronaphthalene-1,4- Dione PDB code: 5ysu(C).
		3. Ligand: ODN × 1 (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14r, 16beta)-1,6,7,14-Tetrahydroxy-7,20- Epoxykauran-15-One PDB code: 6m6x(C).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: F2X × 1 (2~{r})-2-Methyl-5-Oxidanyl-2,3-Dihydronaphthalene-1,4- Dione PDB code: 5ysu(C).
		2. Ligand: ODN × 1 (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14r, 16beta)-1,6,7,14-Tetrahydroxy-7,20- Epoxykauran-15-One PDB code: 6m6x(C).