Ligand clusters for UniProt code P00797

Ligand clusters for P00797: Renin OS=Homo sapiens OX=9606 GN=REN PE=1 SV=1

		Top 6 (of 28) ligand clusters Cluster 1. 85 ligand types 123 ligands Cluster 2. 7 ligand types 66 ligands Cluster 3. 1 ligand type 1 ligand Cluster 4. 4 ligand types 4 ligands Cluster 5. 4 ligand types 5 ligands Cluster 6. 4 ligand types 17 ligands
Representative protein: 4amtA

Structures

PDB		Schematic diagram
4amtA
6i3fB
3q5hA
2bktA
2renA
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Cluster 1 contains 85 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: DMS × 14 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 3d91(A), 3g70(A), 3g72(A), 4pyv(A), 4q1n(A), 5kot(A), 5sy2(A), 5sy3(A), 5t4s(A), 5tmg(A), 5tmk(A).
		2. Ligand: GOL × 2 glycerin Glycerol PDB codes: 3gw5(A), 3sfc(A).
		3. Ligand: C41 × 1 aliskiren Aliskiren PDB code: 2v0z(C).
		4. Ligand: CIT × 1 citric acid Citric acid PDB code: 2il2(A).
		5. Ligand: SO4 × 6 Sulfate ion PDB codes: 4amt(A), 4gj6(A), 4gj8(A), 4gja(A), 4gjb(A), 4gjc(A).
		6. Ligand: 22X × 4 (3r)-3-[(1s)-4-(Acetylamino)-1-(3-Chlorophenyl)-1- Hydroxybutyl]-N-{(1s)-2-Cyclohexyl-1- [(Methylamino) methyl]ethyl}piperidine-1-Carboxamide PDB codes: 3km4(A),
		7. Ligand: 0LS × 3 N-{[(3s,4s)-4-Benzylpyrrolidin-3-Yl]methyl}-4-Chloro-N- Phenylaniline PDB codes: 4gj6(A),
		8. Ligand: 90D × 3 Methyl [(4s)-4-(3'-Ethyl-6-Fluoro[1,1'-Biphenyl]-2-Yl)- 4-Hydroxy-4-{(3r)-1-[4- (Methylamino) butanoyl]piperidin-3-Yl}butyl]carbamate PDB codes: 5v8v(A),
		9. Ligand: 9JD × 3 Methyl [(4s)-4-{(3r)-1-[(3s)-4-Amino-3- Hydroxybutanoyl]piperidin-3-Yl}-4-(3'-Ethyl-6- Fluoro[1,1'-Biphenyl]-2-Yl)-4-Hydroxybutyl]carbamate PDB codes: 5vrp(A),
		10. Ligand: ACT × 3 Acetate ion PDB codes: 3own(A),
		11. Ligand: PEG × 3 Di(hydroxyethyl)ether PDB codes: 5kos(A), 5kot(A), 5sxn(A).
		12. Ligand: 0LU × 2 (2s)-1-(Pyrrolidin-1-Yl)-3-(9h-Thioxanthen-9-Yl)propan- 2-Ol PDB codes: 4gj8(A),
		13. Ligand: 7IG × 2 5-{4-[(3,5-Difluorobenzyl)amino]phenyl}-6- Ethylpyrimidine-2,4-Diamine PDB codes: 2g24(A), 2iko(A).
		14. Ligand: LPN × 2 (3r,4s)-N-[2-Chloro-5-(3-Methoxypropyl)benzyl]-N- Cyclopropyl-4-{4-[2-(2,6-Dichloro-4- Methylphenoxy) ethoxy]phenyl}piperidine-3-Carboxamide PDB codes: 3o9l(A),
		15. Ligand: LPO × 2 (3s,4r)-N-[2-Chloro-5-(2-Methoxyethyl)benzyl]-N- Cyclopropyl-4-{6-[2-(2,6-Dichloro-4- Methylphenoxy) ethoxy]pyridin-3-Yl}-4-Hydroxypiperidine-3-Carboxamide PDB codes: 3oad(A),
		16. Ligand: LPQ × 2 (3r,4s)-N-{2-Chloro-5-[(Cyclopropylamino) methyl]benzyl}-N-Cyclopropyl-4-{6-[2-(2,6-Dichloro-4- Methylphenoxy)ethoxy]pyridin-3-Yl}piperidine-3- Carboxamide PDB codes: 3oag(A),
		17. Ligand: S53 × 2 [7-Benzyl-2-(5-Fluoro-2-Methylphenoxy)-1-Phenyl-1h- Pyrrolo[2,3-C]pyridin-3-Yl](piperazin-1- Yl)methanone PDB codes: 3sfc(A),
		18. Ligand: 03D × 1 (2r,4s,5s)-N-[(2s,3r,4s)-1-Cyclohexyl-3,4-Dihydroxy-6- Methylheptan-2-Yl]-2-(Cyclopropylmethyl)- 4,5- Dihydroxy-6-Phenylhexanamide PDB code: 1hrn(A).
		19. Ligand: 0IU × 1 (2s)-2-[(2-Amino-1,3-Thiazol-4-Yl)methyl]-N~1~-[(1s,2r, 3r)-1-(Cyclohexylmethyl)-2,3-Dihydroxy-5- Methylhexyl]- N~4~-[2-(Dimethylamino)-2-Oxoethyl]-N~4~-[(1s)-1- Phenylethyl]butanediamide PDB code: 1bil(A).
		20. Ligand: 0LR × 1 (3r,4r)-3-(Naphthalen-2-Ylmethoxy)-4-Phenylpiperidine PDB code: 4gj5(A).
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Cluster 2 contains 7 ligand types

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Ligand		Description
		1. Ligand: NAG × 55 n-acetylglucosamine N-Acetyl-D-Glucosamine PDB codes: 1hrn(A), 2g1n(A), 2g1o(A), 2g1r(A), 2g1s(A), 2g1y(A), 2g22(A), 2ren(A), 2v0z(C), 3g70(A), 3g72(A), 3o9l(A), 3oad(A), 3oag(A), 3oot(A), 3oqf(A), 3oqk(A), 3q4b(A), 3sfc(A), 3vcm(A), 3vsw(A), 3vsx(A), 3vuc(A), 3vyd(A), 3vye(A), 3vyf(A), 4gj5(A), 4gj6(A), 4gj7(A), 4gj8(A), 4gj9(A), 4gja(A), 4gjb(A), 4gjc(A), 4gjd(A), 4pyv(A), 4q1n(A), 4ryc(A), 4ryg(A), 4rz1(A), 4s1g(A), 4xx3(A), 4xx4(A), 5koq(A), 5kos(A), 5kot(A), 5sy2(A), 5sy3(A), 5sz9(A), 5t4s(A), 5tmg(A), 5tmk(A), 5v8v(A), 5vpm(A), 5vrp(A).
		2. Ligand: NAG-NAG × 5 NAG=N-Acetyl-D-Glucosamine. PDB codes: 3gw5(A), 3km4(A), 3q3t(A), 3q5h(A), 5sxn(A).
		3. Ligand: NDG × 2 2-(Acetylamino)-2-Deoxy-A-D-Glucopyranose PDB codes: 3g6z(A), 3k1w(A).
		4. Ligand: NAG-FUC-NAG × 1 NAG=N-Acetyl-D-Glucosamine, FUC=Alpha-L-Fucose. PDB code: 6i3f(B).
		5. Ligand: NAG-FUC-NAG-BMA × 1 NAG=N-Acetyl-D-Glucosamine, FUC=Alpha-L-Fucose, BMA=Beta-D-Mannose. PDB code: 4amt(A).
		6. Ligand: NGA × 1 N-Acetyl-D-Galactosamine PDB code: 1rne(A).
		7. Ligand: SO4 × 1 Sulfate ion PDB code: 4amt(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: NAG-NAG-BMA-MAN-NAG × 1 NAG=N-Acetyl-D-Glucosamine, BMA=Beta-D-Mannose, MAN=Alpha-D-Mannose. PDB code: 6i3f(B).

Cluster 4 contains 4 ligand types

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Ligand		Description
		1. Ligand: 1PE × 1 Pentaethylene glycol PDB code: 5sy3(A).
		2. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 5kot(A).
		3. Ligand: PGE × 1 Triethylene glycol PDB code: 5sy2(A).
		4. Ligand: SO4 × 1 Sulfate ion PDB code: 4amt(A).

Cluster 5 contains 4 ligand types

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Ligand		Description
		1. Ligand: DMS × 2 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 5kos(A), 5kot(A).
		2. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 5sz9(A).
		3. Ligand: PGE × 1 Triethylene glycol PDB code: 5kot(A).
		4. Ligand: SO4 × 1 Sulfate ion PDB code: 4amt(A).

Cluster 6 contains 4 ligand types

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Ligand		Description
		1. Ligand: DMS × 6 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 5kos(A), 5kot(A), 5sy2(A), 5t4s(A), 5tmg(A), 5tmk(A).
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 3sfc(A).
		3. Ligand: SO4 × 8 Sulfate ion PDB codes: 4gj7(A), 4gja(A), 4gjc(A), 4gjd(A), 4pyv(A), 4ryc(A), 4ryg(A), 4rz1(A).
_Cl		4. Metal: _CL × 2 PDB codes: 3q4b(A), 3q5h(A).