Ligand clusters for UniProt code P31947

Ligand clusters for P31947: 14-3-3 protein sigma from Homo sapiens

		Top 6 (of 34) ligand clusters Cluster 1. 180 ligand types 262 ligands Cluster 2. 12 ligand types 42 ligands Cluster 3. 4 ligand types 19 ligands Cluster 4. 5 ligand types 5 ligands Cluster 5. 4 ligand types 10 ligands Cluster 6. 2 ligand types 11 ligands
Representative protein: 5ok9A

Structures

PDB		Schematic diagram
5ok9A
6hn2A
3iquA
3iqvA
6qdtA
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Cluster 1 contains 180 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 4 glycerin Glycerol PDB codes: 4fl5(A), 5oeh(A), 6y1j(A),
_Mg		2. Metal: _MG × 3 PDB codes: 3mhr(A), 3p1r(A), 5n75(A).
		3. Ligand: LYS-ARG-ARG-LYS-SEP-VAL × 14 SEP=Phosphoserine. PDB codes: 3p1n(A), 3p1o(A), 3p1p(A), 3p1q(A), 3p1r(A), 3p1s(A), 3smk(A), 3smm(A), 3smn(A), 3smo(A), 3sp5(A), 3spr(A), 3ux0(A), 4fr3(A).
		4. Ligand: PHE-PRO-ALA-TPO-VAL × 11 TPO=Phosphothreonine. PDB codes: 4jc3(A), 4jdd(A), 6hhp(A), 6hkb(A), 6hkf(A), 6hmt(A), 6hmu(A), 6hn2(A), 6tjm(A), 6tl3(A), 7nfw(A).
		5. Ligand: ARG-SER-HIS-SEP-SER-PRO-ALA-SER-LEU-GLN × 7 SEP=Phosphoserine. PDB codes: 5n5w(A), 5n75(A), 6rjl(A), 6rjq(A), 6rp6(A), 6slw(A), 6slx(A).
		6. Ligand: ALA-GLY-SEP-ILE-PRO-GLY-ARG-ARG-SER × 6 SEP=Phosphoserine. PDB codes: 6yox(A), 6yoy(A), 6yp2(A), 6yp3(A), 6yp8(A), 6ypl(A).
		7. Ligand: FSC × 6 Fusicoccin PDB codes: 3iqv(A), 3p1o(A), 3p1q(A), 3p1s(A), 4jdd(A), 5mxo(A).
		8. Ligand: ALA × 5 PDB codes: 6g6x(A), 6g8i(A), 6g8j(A), 6g8k(A), 6g8l(A).
		9. Ligand: ACE-ARG-THR-PRO-SEP-LEU-PRO-GLY × 4 ACE=Acetyl group, SEP=Phosphoserine. PDB codes: 6fau(A), 6fav(A), 6faw(A), 6fby(A).
		10. Ligand: ARG-ARG-ARG-LYS-SEP-CYS-GLN × 3 SEP=Phosphoserine. PDB codes: 6xxc(A), 6xy5(A), 6y18(A).
		11. Ligand: LYS-LEU-MET-PHE-LYS-TPO-GLU-GLY-PRO-ASP × 3 TPO=Phosphothreonine. PDB codes: 6r5l(A), 6rkk(A), 6s3c(A).
		12. Ligand: SO4 × 3 Sulfate ion PDB codes: 5om0(B), 6tlg(A), 6tm7(A).
_Cd		13. Metal: _CD × 3 PDB codes: 5okf(D),
		14. Ligand: 0V4 × 2 (4r,5r,6r,6as,9s,9ae,10ar)-5-Hydroxy-9-(Methoxymethyl)- 6,10a-Dimethyl-3-(Propan-2-Yl)- 1,2,4,5,6,6a,7,8,9,10a- Decahydrodicyclopenta[a,D][8]annulen-4-Yl alpha-D- Glucopyranoside PDB codes: 4fr3(A), 6nv2(A).
		15. Ligand: 19O × 2 Natrium-(5,7 ,9 ,11 ,16 ,18 ,20 ,22 )-5,7,9,11,16,18, 20,22-Octahydro-5,22:7,20:9,18:11,16- Tetramethanononacen-8,19-Bisphosphate PDB codes: 4hqw(A), 4hru(A).
		16. Ligand: 49F × 2 (2s)-2-(2-Methoxyethyl)pyrrolidine PDB codes: 4y32(A), 4y3b(A).
		17. Ligand: 60H × 2 (2~{s})-2-(Diphenylmethyl)pyrrolidine PDB codes: 6fi4(A), 6fi5(A).
		18. Ligand: 9SZ × 2 C42 h32 o8 p2 PDB codes: 5oeg(A), 5oeh(A).
		19. Ligand: ARG × 2 PDB codes: 6yow(A), 6ypy(A).
		20. Ligand: ARG-ARG-ALA-SEP-ALA-PRO-LEU-PRO × 2 SEP=Phosphoserine. PDB codes: 5lu1(A), 5lu2(A).
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Cluster 2 contains 12 ligand types

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Ligand		Description
_Mg		1. Metal: _MG × 24 PDB codes: 3iqj(A), 3iqu(A), 3iqv(A), 3lw1(A), 3p1o(A), 3sml(A), 3ux0(A), 4dhm(A), 4dhn(A), 4dho(A), 4dhp(A), 4dhq(A), 4dhr(A), 4dhs(A), 4dhu(A), 4fl5(A), 4jc3(A), 5n5r(A), 6hhp(A), 6hkb(A), 6hkf(A), 6hmt(A), 6hmu(A), 6hn2(A).
		2. Ligand: TRS × 4 tromethamine 2-Amino-2-Hydroxymethyl-Propane-1,3-Diol PDB codes: 5ltw(A), 5lu1(A), 5om0(B),
		3. Ligand: GOL × 3 glycerin Glycerol PDB codes: 3mhr(A), 6y1j(A), 6y7t(A).
		4. Ligand: B3P × 2 2-[3-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)- Propylamino]-2-Hydroxymethyl-Propane-1,3-Diol PDB codes: 6qzr(A), 6qzs(A).
_Cd		5. Metal: _CD × 2 PDB codes: 5okf(A),
		6. Ligand: JT2 × 1 4-[[(2~{s})-1-Azanylpropan-2-Yl]amino]-6- (Sulfanylmethyl)-1-Benzothiophene-2-Carboximidamide PDB code: 6rjq(A).
		7. Ligand: K6Z × 1 4-Phenyl-5-Phenylazanyl-Thiophene-2-Carboximidamide PDB code: 6rkm(A).
		8. Ligand: KLB × 1 5-(1~{h}-Imidazol-5-Yl)-4-Phenyl-Thiophene-2- Carboximidamide PDB code: 6rwh(A).
		9. Ligand: KTW × 1 4-Chloranyl-1-Benzothiophene-2-Carboximidamide PDB code: 6s40(A).
		10. Ligand: L1T × 1 4-Methyl-5-Phenyl-Thiophene-2-Carboximidamide PDB code: 6s9q(A).
		11. Ligand: LF5 × 1 4-Chloranyl-7-Propan-2-Yloxy-1-Benzothiophene-2- Carboximidamide PDB code: 6siq(A).
_Na		12. Metal: _NA × 1 PDB code: 6fi5(A).

Cluster 3 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 16 glycerin Glycerol PDB codes: 3t0l(A), 3t0m(A), 3u9x(A), 3ux0(A), 4dhm(A), 4dhn(A), 4dho(A), 4dhp(A), 4dhq(A), 4dhr(A), 4dhs(A), 4dht(A), 4dhu(A), 4fl5(A), 6qhl(A), 6s40(A).
		2. Ligand: IMD × 1 Imidazole PDB code: 6t5h(A).
		3. Ligand: NV1 × 1 2-Azanyl-~{N}-(2,6-Dimethylphenyl)-~{N}-Propan-2-Yl- Ethanamide PDB code: 5n5r(A).
		4. Ligand: TWZ × 1 Exostwz molecular tweezer PDB code: 6y7t(A).

Cluster 4 contains 5 ligand types

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Ligand		Description
		1. Ligand: 8OB × 1 4-[3,5-Bis(chloranyl)pyridin-2-Yl]oxyphenol PDB code: 5n5t(A).
		2. Ligand: 8OE × 1 4-[3,5-Bis(chloranyl)pyridin-2-Yl]oxyaniline PDB code: 5n5w(A).
		3. Ligand: KTW × 1 4-Chloranyl-1-Benzothiophene-2-Carboximidamide PDB code: 6s40(A).
		4. Ligand: L1T × 1 4-Methyl-5-Phenyl-Thiophene-2-Carboximidamide PDB code: 6slw(A).
		5. Ligand: LFQ × 1 5-Methyl-4-Phenyl-Thiophene-2-Carboximidamide PDB code: 6sio(A).

Cluster 5 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 3t0l(A), 3t0m(A), 6qhl(A).
		2. Ligand: SO4 × 3 Sulfate ion PDB codes: 5om0(A), 6tlg(A).
		3. Ligand: PEG × 2 Di(hydroxyethyl)ether PDB codes: 5ok9(A),
		4. Ligand: PGE × 2 Triethylene glycol PDB codes: 6t5h(A),

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 9 glycerin Glycerol PDB codes: 3lw1(A), 6qzs(A), 6r5l(A), 6rjz(A), 6rkk(A), 6rkm(A), 6rl3(A), 6s3c(A), 6y1j(A).
		2. Ligand: SO4 × 2 Sulfate ion PDB codes: 6tlf(A), 6tlg(A).