Ligand clusters for UniProt code D0VWY9

Ligand clusters for D0VWY9: Tubulin beta chain from Ovis aries

		Top 6 (of 17) ligand clusters Cluster 1. 14 ligand types 53 ligands Cluster 2. 10 ligand types 47 ligands Cluster 3. 4 ligand types 5 ligands Cluster 4. 1 ligand type 5 ligands Cluster 5. 1 ligand type 2 ligands Cluster 6. 1 ligand type 3 ligands
Representative protein: 3rycB

Structures

PDB		Schematic diagram
3rycB
6gwcB
3ryhB
3ryfB
5mioB
		more ...

Cluster 1 contains 14 ligand types

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Ligand		Description
_Mg		1. Metal: _MG × 5 PDB codes: 3hkc(B), 3hkd(B), 3n2g(B), 3n2k(B), 6gx7(B).
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 6gx7(B).
		3. Ligand: VLB × 1 vinblastine (2alpha,2'Beta,3beta,4alpha,5beta)-Vincaleukoblastine PDB code: 4eb6(B).
		4. Ligand: GDP × 24 Guanosine-5'-Diphosphate PDB codes: 3hkb(B), 3hkc(B), 3hkd(B), 3hke(B), 3n2g(B), 3n2k(B), 3ryc(B), 3ryi(B), 3ut5(B), 4eb6(B), 4f61(B), 4f6r(B), 4hna(B), 4lnu(B), 4x1i(B), 4x1k(B), 4x1y(B), 4x20(B), 5eyp(B), 5kx5(B), 5mio(B), 6gvm(B), 6gwd(B), 6h9b(B).
		5. Ligand: SO4 × 9 Sulfate ion PDB codes: 3ryc(B), 3ryf(B), 3ryh(B), 3ryi(B), 3ut5(B), 4eb6(B), 4lnu(B), 5eyp(B), 6h9b(B).
		6. Ligand: GTP × 5 Guanosine-5'-Triphosphate PDB codes: 3ryf(B), 4drx(B), 6gvn(B), 6gwc(B), 6gx7(B).
		7. Ligand: 0EA-VAL-0E5-GLY × 1 0EA=(Betar)-Beta,3-Dihydroxy-N-Methyl-L-Tyrosine, 0E5=(2s,3r)-2-Azanyl-3-Methyl-3-Oxidanyl-Pentanoic acid. PDB code: 3ut5(B).
		8. Ligand: 3WD × 1 2-Methyl-L-Alanyl-N-[(3r,4s,5s)-3-Methoxy-1-{(2s)-2- [(1r,2r)-1-Methoxy-2-Methyl-3-Oxo-3-{[(1s)-2- Phenyl-1- (1,3-Thiazol-2-Yl)ethyl]amino}propyl]pyrrolidin-1-Yl}- 5-Methyl-1-Oxoheptan-4-Yl]-N- Methyl-L-Valinamide PDB code: 4x1i(B).
		9. Ligand: 3WV × 1 N,2-Dimethyl-L-Alanyl-N-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)- 3-{[(1s)-1-Carboxy-2-Phenylethyl]amino}-1- Methoxy-2- Methyl-3-Oxopropyl]pyrrolidin-1-Yl}-3-Methoxy-5- Methyl-1-Oxoheptan-4-Yl]-N-Methyl-L- Valinamide PDB code: 4x1y(B).
		10. Ligand: 3WY × 1 2-Methyl-L-Prolyl-N-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3- {[(1s)-1-Carboxy-2-Phenylethyl]amino}-1- Methoxy-2- Methyl-3-Oxopropyl]pyrrolidin-1-Yl}-3-Methoxy-5- Methyl-1-Oxoheptan-4-Yl]-N-Methyl-L- Valinamide PDB code: 4x20(B).
		11. Ligand: 3WZ × 1 2-Methyl-L-Alanyl-N-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3- {[(1s)-1-Carboxy-2-Phenylethyl]amino}-1- Methoxy-2- Methyl-3-Oxopropyl]pyrrolidin-1-Yl}-3-Methoxy-5- Methyl-1-Oxoheptan-4-Yl]-N-Methyl-L- Valinamide PDB code: 4x1k(B).
		12. Ligand: 6YK × 1 (2~{s},4~{r})-4-[[2-[(1~{r},3~{r})-1-Acetyloxy-3- [[(2~{s},3~{s})-2-[[(2~{r})-1,2- Dimethylpyrrolidin-2- Yl]carbonylamino]-3-Methyl-Pentanoyl]-Methyl-Amino]-4- Methyl-Pentyl]-1,3- Thiazol-4-Yl]carbonylamino]-5-(4- Aminophenyl)-2-Methyl-Pentanoic acid PDB code: 5kx5(B).
		13. Ligand: ALF × 1 Tetrafluoroaluminate ion PDB code: 4hna(B).
		14. Ligand: G2P × 1 Phosphomethylphosphonic acid guanylate ester PDB code: 3ryh(B).

Cluster 2 contains 10 ligand types

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Ligand		Description
		1. Ligand: LOC × 7 colchicine N-[(7s)-1,2,3,10-Tetramethoxy-9-Oxo-6,7-Dihydro-5h- Benzo[d]heptalen-7-Yl]ethanamide PDB codes: 3ut5(B), 4x1i(B), 4x1k(B), 4x1y(B), 4x20(B), 5eyp(B), 5mio(B).
_Mg		2. Metal: _MG × 1 PDB code: 4x1y(B).
		3. Ligand: GTP × 30 Guanosine-5'-Triphosphate PDB codes: 3hkb(B), 3hkc(B), 3hkd(B), 3hke(B), 3n2g(B), 3n2k(B), 3ryc(B), 3ryf(B), 3ryh(B), 3ryi(B), 3ut5(B), 4drx(B), 4eb6(B), 4f61(B), 4f6r(B), 4hna(B), 4lnu(B), 4x1i(B), 4x1k(B), 4x1y(B), 4x20(B), 5eyp(B), 5kx5(B), 5mio(B), 6gvm(B), 6gvn(B), 6gwc(B), 6gwd(B), 6gx7(B), 6h9b(B).
		4. Ligand: SO4 × 2 Sulfate ion PDB codes: 4lnu(B), 6h9b(B).
		5. Ligand: T13 × 2 2,3,4,5,6-Pentafluoro-N-(3-Fluoro-4-Methoxyphenyl) benzenesulfonamide PDB codes: 3hke(B),
		6. Ligand: E70 × 1 N-{2-[(4-Hydroxyphenyl)amino]pyridin-3-Yl}-4- Methoxybenzenesulfonamide PDB code: 3hkc(B).
		7. Ligand: FWH × 1 9-Methyl-3-[1-(2-Methylquinolin-4-Yl)ethenyl]carbazole PDB code: 6h9b(B).
		8. Ligand: G2N × 1 Ethyl [(2r)-5-Amino-2-Methyl-3-Phenyl-1,2- Dihydropyrido[3,4-B]pyrazin-7-Yl]carbamate PDB code: 3n2g(B).
		9. Ligand: K2N × 1 Ethyl [(2s)-5-Amino-2-Methyl-3-Phenyl-1,2- Dihydropyrido[3,4-B]pyrazin-7-Yl]carbamate PDB code: 3n2k(B).
		10. Ligand: N16 × 1 (3z,5s)-5-Benzyl-3-[1-(Phenylamino) ethylidene]pyrrolidine-2,4-Dione PDB code: 3hkd(B).

Cluster 3 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4lnu(B).
_Mg		2. Metal: _MG × 1 PDB code: 5kx5(B).
		3. Ligand: MES × 2 2-(N-Morpholino)-Ethanesulfonic acid PDB codes: 6gwc(B), 6gx7(B).
		4. Ligand: SO4 × 1 Sulfate ion PDB code: 4lnu(B).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: MES × 5 2-(N-Morpholino)-Ethanesulfonic acid PDB codes: 4f6r(B), 4lnu(B), 6gvn(B), 6gwc(B), 6gx7(B).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 4lnu(B), 5eyp(B).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 4lnu(B), 5eyp(B),