Ligand clusters for UniProt code P29474

Ligand clusters for P29474: Nitric oxide synthase, endothelial from Homo sapiens

		Top 6 (of 12) ligand clusters Cluster 1. 52 ligand types 147 ligands Cluster 2. 21 ligand types 55 ligands Cluster 3. 2 ligand types 32 ligands Cluster 4. 2 ligand types 40 ligands Cluster 5. 2 ligand types 2 ligands Cluster 6. 1 ligand type 34 ligands
Representative protein: 5uo8A

Structures

PDB		Schematic diagram
5uo8A
4d1pA
4d1oA
6pp2A
3eahA
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Cluster 1 contains 52 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: H4B × 30 sapropterin 5,6,7,8-Tetrahydrobiopterin PDB codes: 3nos(A), 4d1o(A), 4d1p(A), 5uo8(A), 5uo9(A), 5uoc(A), 5vvb(A), 5vvc(A), 5vvd(A), 6av6(A), 6av7(A), 6cie(A), 6cif(A), 6nh1(A), 6nh2(A), 6nh4(A), 6nh5(A), 6nh6(A), 6nh8(A), 6nhf(A), 6pov(A), 6pow(A), 6pox(A), 6poy(A), 6poz(A), 6pp0(A), 6pp1(A), 6pp2(A), 6pp3(A), 6pp4(A).
_Zn		2. Metal: _ZN × 6 PDB codes: 5uoa(A), 5uob(A), 6nh2(A), 6nh3(A), 6nh4(A), 6pou(A).
		3. Ligand: GOL × 2 glycerin Glycerol PDB codes: 4d1o(A), 6pp1(A).
		4. Ligand: CLW × 1 chlorzoxazone Chlorzoxazone PDB code: 1m9j(A).
		5. Ligand: HAR × 1 N-Omega-Hydroxy-L-Arginine PDB code: 3nos(A).
		6. Ligand: MPD × 4 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 1m9m(A), 1m9q(A),
		7. Ligand: HEM × 6 Protoporphyrin IX containing fe PDB codes: 1m9j(A), 1m9k(A), 1m9m(A), 1m9q(A), 1m9r(A), 3nos(A).
		8. Ligand: INE × 2 3-Bromo-7-Nitroindazole PDB codes: 1m9r(A),
		9. Ligand: 5NI × 1 5-Nitroindazole PDB code: 1m9q(A).
		10. Ligand: 6NI × 1 6-Nitroindazole PDB code: 1m9m(A).
		11. Ligand: 7NI × 1 7-Nitroindazole PDB code: 1m9k(A).
		12. Ligand: HEM × 34 Protoporphyrin IX containing fe PDB codes: 4d1o(A), 4d1p(A), 5uo8(A), 5uo9(A), 5uoa(A), 5uob(A), 5uoc(A), 5vvb(A), 5vvc(A), 5vvd(A), 6av6(A), 6av7(A), 6cie(A), 6cif(A), 6nh1(A), 6nh2(A), 6nh3(A), 6nh4(A), 6nh5(A), 6nh6(A), 6nh7(A), 6nh8(A), 6nhf(A), 6pou(A), 6pov(A), 6pow(A), 6pox(A), 6poy(A), 6poz(A), 6pp0(A), 6pp1(A), 6pp2(A), 6pp3(A), 6pp4(A).
_Cl		13. Metal: _CL × 10 PDB codes: 3eah(A), 6av6(A), 6av7(A), 6nh1(A), 6nh2(A), 6nh3(A), 6nh4(A), 6nh5(A), 6nh6(A), 6nhf(A).
		14. Ligand: MPD × 2 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 3eah(A),
		15. Ligand: ACT × 4 Acetate ion PDB codes: 4d1o(A), 4d1p(A), 6pov(A).
		16. Ligand: 8EY × 2 3-[(2-Amino-4-Methylquinolin-7-Yl)methoxy]-5- [(Methylamino)methyl]benzonitrile PDB codes: 5uoa(A),
		17. Ligand: KL4 × 2 6-[2-(3-Fluoro-5-{2-[(2s)-Pyrrolidin-2- Yl]ethyl}phenyl)ethyl]-4-Methylpyridin-2-Amine PDB codes: 6nh3(A),
		18. Ligand: KMM × 2 6-(2-{3-[3-(Dimethylamino)propyl]-2,5,6- Trifluorophenyl}ethyl)-4-Methylpyridin-2-Amine PDB codes: 6nh7(A),
		19. Ligand: M16 × 2 7-[4-(2-Aminoethyl)phenyl]-4-Methylquinolin-2-Amine PDB codes: 6pou(A),
		20. Ligand: M4R × 2 3-[(2-Amino-4-Methylquinolin-7-Yl)methoxy]-5-[(2r)-2- (Methylamino)propyl]benzonitrile PDB codes: 5uob(A),
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Cluster 2 contains 21 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: H4B × 26 sapropterin 5,6,7,8-Tetrahydrobiopterin PDB codes: 3nos(A), 4d1o(A), 4d1p(A), 5uo8(A), 5uo9(A), 5uoc(A), 5vvb(A), 5vvc(A), 5vvd(A), 6av6(A), 6av7(A), 6cie(A), 6cif(A), 6nh1(A), 6nh5(A), 6nh6(A), 6nh8(A), 6nhf(A), 6pov(A), 6pox(A), 6poy(A), 6pp0(A), 6pp1(A), 6pp2(A), 6pp3(A), 6pp4(A).
_Zn		2. Metal: _ZN × 9 PDB codes: 5uoa(A), 5uob(A), 5uoc(A), 6nh1(A), 6nh2(A), 6nh3(A), 6nh4(A), 6nh5(A), 6pou(A).
		3. Ligand: GOL × 1 glycerin Glycerol PDB code: 4d1o(A).
		4. Ligand: MPD × 2 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 1m9m(A), 1m9q(A).
		5. Ligand: INE × 1 3-Bromo-7-Nitroindazole PDB code: 1m9r(A).
		6. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 3eah(A).
		7. Ligand: 8EY × 1 3-[(2-Amino-4-Methylquinolin-7-Yl)methoxy]-5- [(Methylamino)methyl]benzonitrile PDB code: 5uoa(A).
		8. Ligand: 9OJ × 1 4-(2-{[(2-Amino-4-Methylquinolin-7-Yl) methyl]amino}ethyl)-2-Methylbenzonitrile PDB code: 5vvc(A).
		9. Ligand: 9P7 × 1 4-(2-{[(2-Aminoquinolin-7-Yl)methyl]amino}ethyl)-2- Methylbenzonitrile PDB code: 5vvb(A).
		10. Ligand: KL4 × 1 6-[2-(3-Fluoro-5-{2-[(2s)-Pyrrolidin-2- Yl]ethyl}phenyl)ethyl]-4-Methylpyridin-2-Amine PDB code: 6nh3(A).
		11. Ligand: KLA × 1 6-[2-(3-Fluoro-5-{2-[(2r,4s)-4-Fluoropyrrolidin-2- Yl]ethyl}phenyl)ethyl]-4-Methylpyridin-2-Amine PDB code: 6nh4(A).
		12. Ligand: KMA × 1 6-[2-(3-Fluoro-5-{2-[(2r)-Pyrrolidin-2- Yl]ethyl}phenyl)ethyl]-4-Methylpyridin-2-Amine PDB code: 6nh2(A).
		13. Ligand: KMM × 1 6-(2-{3-[3-(Dimethylamino)propyl]-2,5,6- Trifluorophenyl}ethyl)-4-Methylpyridin-2-Amine PDB code: 6nh7(A).
		14. Ligand: M16 × 1 7-[4-(2-Aminoethyl)phenyl]-4-Methylquinolin-2-Amine PDB code: 6pou(A).
		15. Ligand: M4R × 1 3-[(2-Amino-4-Methylquinolin-7-Yl)methoxy]-5-[(2r)-2- (Methylamino)propyl]benzonitrile PDB code: 5uob(A).
		16. Ligand: OS7 × 1 7-{3-(Aminomethyl)-4-[(Pyridin-2-Yl)methoxy]phenyl}-4- Methylquinolin-2-Amine PDB code: 6pp3(A).
		17. Ligand: OSD × 1 7-{3-(Aminomethyl)-4-[(Propan-2-Yl)oxy]phenyl}-4- Methylquinolin-2-Amine PDB code: 6poz(A).
		18. Ligand: OUA × 1 7-[5-(Aminomethyl)pyridin-3-Yl]-4-Methylquinolin-2- Amine PDB code: 6pow(A).
		19. Ligand: OUM × 1 4-{[2-(Aminomethyl)-4-(2-Amino-4-Methylquinolin-7-Yl) phenoxy]methyl}benzonitrile PDB code: 6pp2(A).
		20. Ligand: OUS × 1 7-{3-(Aminomethyl)-4-[(Pyridin-3-Yl)methoxy]phenyl}-4- Methylquinolin-2-Amine PDB code: 6pp4(A).
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Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 31 glycerin Glycerol PDB codes: 4d1o(A), 4d1p(A), 5uo8(A), 5uo9(A), 5uoa(A), 5uob(A), 5uoc(A), 5vvb(A), 5vvc(A), 5vvd(A), 6av6(A), 6av7(A), 6cie(A), 6cif(A), 6nh1(A), 6nh2(A), 6nh3(A), 6nh4(A), 6nh5(A), 6nh6(A), 6nh8(A), 6nhf(A), 6pov(A), 6pow(A), 6pox(A), 6poy(A), 6poz(A), 6pp0(A), 6pp2(A), 6pp3(A), 6pp4(A).
		2. Ligand: BTB × 1 2-[Bis-(2-Hydroxy-Ethyl)-Amino]-2-Hydroxymethyl- Propane-1,3-Diol PDB code: 6nh7(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: BTB × 37 2-[Bis-(2-Hydroxy-Ethyl)-Amino]-2- Hydroxymethyl-Propane-1,3-Diol PDB codes: 4d1o(A), 4d1p(A), 5uo8(A), 5uo9(A), 5uoa(A), 5uob(A), 5uoc(A), 5vvb(A), 5vvc(A), 5vvd(A), 6av6(A), 6av7(A), 6cie(A), 6cif(A), 6nh1(A), 6nh2(A), 6nh3(A), 6nh4(A), 6nh5(A), 6nh6(A), 6nh7(A), 6nh8(A), 6nhf(A), 6pou(A), 6pov(A), 6pow(A), 6pox(A), 6poy(A), 6poz(A), 6pp0(A), 6pp1(A), 6pp2(A), 6pp3(A), 6pp4(A).
_Gd		2. Metal: _GD × 3 PDB codes: 6nh3(A), 6nh4(A), 6nh6(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: BTB × 1 2-[Bis-(2-Hydroxy-Ethyl)-Amino]-2-Hydroxymethyl- Propane-1,3-Diol PDB code: 6pou(A).
_Gd		2. Metal: _GD × 1 PDB code: 6nh7(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: BTB × 34 2-[Bis-(2-Hydroxy-Ethyl)-Amino]-2- Hydroxymethyl-Propane-1,3-Diol PDB codes: 4d1o(A), 4d1p(A), 5uo8(A), 5uo9(A), 5uoa(A), 5uob(A), 5uoc(A), 5vvb(A), 5vvc(A), 5vvd(A), 6av6(A), 6av7(A), 6cie(A), 6cif(A), 6nh1(A), 6nh2(A), 6nh3(A), 6nh4(A), 6nh5(A), 6nh6(A), 6nh7(A), 6nh8(A), 6nhf(A), 6pou(A), 6pov(A), 6pow(A), 6pox(A), 6poy(A), 6poz(A), 6pp0(A), 6pp1(A), 6pp2(A), 6pp3(A), 6pp4(A).