Ligand clusters for UniProt code Q05769

Ligand clusters for Q05769: Prostaglandin G/H synthase 2 from Mus musculus

		Top 6 (of 24) ligand clusters Cluster 1. 38 ligand types 66 ligands Cluster 2. 6 ligand types 53 ligands Cluster 3. 6 ligand types 44 ligands Cluster 4. 4 ligand types 45 ligands Cluster 5. 4 ligand types 49 ligands Cluster 6. 1 ligand type 10 ligands
Representative protein: 4rs0A

Structures

PDB		Schematic diagram
4rs0A
3mqeA
1dcxA
1dd0A
3ln0A
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Cluster 1 contains 38 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: PGX × 1 7-[6-(3-Hydroperoxy-Oct-1-Enyl)-2,3-Dioxa- Bicyclo[2.2.1]hept-5-Yl]-Hept-5-Enoic acid PDB code: 1ddx(A).
		2. Ligand: LUR × 4 lumiracoxib {2-[(2-Chloro-6-Fluorophenyl)amino]-5- Methylphenyl}acetic acid PDB codes: 4oty(A), 4rrw(A), 4rrx(A), 4rrz(A).
		3. Ligand: CEL × 2 celecoxib 4-[5-(4-Methylphenyl)-3-(Trifluoromethyl)-1h-Pyrazol-1- Yl]benzenesulfonamide PDB codes: 3ln1(A), 5jw1(A).
		4. Ligand: FLP × 2 flurbiprofen Flurbiprofen PDB codes: 3pgh(A), 5jvz(A).
		5. Ligand: IBP × 2 dexibuprofen Ibuprofen PDB codes: 4ph9(A), 4rs0(A).
		6. Ligand: DIF × 1 diclofenac 2-[2,6-Dichlorophenyl)amino]benzeneacetic acid PDB code: 1pxx(A).
		7. Ligand: EPA × 1 icosapent 5,8,11,14,17-Eicosapentaenoic acid PDB code: 3hs6(A).
		8. Ligand: HXA × 1 doconexent Docosa-4,7,10,13,16,19-Hexaenoic acid PDB code: 3hs7(A).
		9. Ligand: ICD × 1 isoxicam 4-Hydroxy-2-Methyl-N-(5-Methyl-1,2-Oxazol-3-Yl)-2h-1,2- Benzothiazine-3-Carboxamide 1,1-Dioxide PDB code: 4m10(A).
		10. Ligand: IMN × 1 indomethacin Indomethacin PDB code: 4cox(A).
		11. Ligand: LNL × 1 alpha-linolenic acid Alpha-Linolenic acid PDB code: 4e1g(A).
		12. Ligand: MXM × 1 meloxicam 4-Hydroxy-2-Methyl-N-(5-Methyl-1,3-Thiazol-2-Yl)-2h-1, 2-Benzothiazine-3-Carboxamide 1,1-Dioxide PDB code: 4m11(A).
		13. Ligand: NPS × 1 naproxen (2s)-2-(6-Methoxynaphthalen-2-Yl)propanoic acid PDB code: 3nt1(A).
		14. Ligand: PLM × 1 palmitic acid Palmitic acid PDB code: 3qh0(A).
		15. Ligand: S58 × 1 1-Phenylsulfonamide-3-Trifluoromethyl-5- Parabromophenylpyrazole PDB code: 6cox(A).
		16. Ligand: BOG × 10 Octyl beta-D-Glucopyranoside PDB codes: 3nt1(A), 3ntb(A), 3q7d(A), 3rr3(A), 4fm5(A), 4ph9(A), 4rry(A), 4rs0(A), 5jvz(A), 5w58(A).
		17. Ligand: ACD × 7 Arachidonic acid PDB codes: 1cvu(A), 1dcx(A), 3hs5(A), 3krk(A), 3olt(A), 3tzi(A), 6ofy(A).
		18. Ligand: EDO × 7 1,2-Ethanediol PDB codes: 3hs5(A), 3hs6(A), 3hs7(A), 3olt(A), 3olu(A), 3qh0(A), 4ph9(A).
		19. Ligand: 1AG × 2 (2s)-2,3-Dihydroxypropyl (5z,8z,11z,14z)-Icosa-5,8,11, 14-Tetraenoate PDB codes: 3mdl(A), 3olu(A).
		20. Ligand: PGX × 1 7-[6-(3-Hydroperoxy-Oct-1-Enyl)-2,3-Dioxa- Bicyclo[2.2.1]hept-5-Yl]-Hept-5-Enoic acid PDB code: 1dd0(A).
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Cluster 2 contains 6 ligand types

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Ligand		Description
		1. Ligand: NAG × 10 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 1cx2(A), 1ddx(A), 3pgh(A), 3q7d(A), 3rr3(A), 4cox(A), 5cox(A), 6cox(A).
		2. Ligand: NAG-NAG × 23 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB codes: 3krk(A), 3nt1(A), 3ntg(A), 3qmo(A), 4fm5(A), 4m10(A), 4m11(A), 4otj(A), 4oty(A), 4ph9(A), 4rrw(A), 4rrx(A), 4rry(A), 4rrz(A), 4rs0(A), 4rut(A), 4z0l(A), 5jvy(A), 5jw1(A), 6bl3(A), 6bl4(A), 6ofy(A), 6v3r(A).
		3. Ligand: NAG-NAG-MAN × 10 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, MAN=Alpha-D-Mannopyranose. PDB codes: 3hs5(A), 3hs6(A), 3hs7(A), 3mdl(A), 3olt(A), 3olu(A), 3qh0(A), 3tzi(A), 4e1g(A), 5fdq(A).
		4. Ligand: NAG-NAG-NAG × 6 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB codes: 1pxx(A), 3ln0(A), 3ln1(A), 3mqe(A), 3ntb(A), 5w58(A).
		5. Ligand: NAG-NAG-MAN-MAN × 3 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, MAN=Alpha-D-Mannopyranose. PDB codes: 1cvu(A), 1dcx(A), 1dd0(A).
		6. Ligand: NAG-NAG-BMA × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose. PDB code: 5jvz(A).

Cluster 3 contains 6 ligand types

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Ligand		Description
		1. Ligand: NAG × 6 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 1cx2(A), 3pgh(A), 3q7d(A), 3rr3(A), 4cox(A).
		2. Ligand: NAG-NAG × 25 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB codes: 3hs5(A), 3hs6(A), 3hs7(A), 3mdl(A), 3nt1(A), 3ntg(A), 3qh0(A), 3tzi(A), 4e1g(A), 4fm5(A), 4m10(A), 4m11(A), 4oty(A), 4rrw(A), 4rrx(A), 4rry(A), 4rrz(A), 4z0l(A), 5fdq(A), 5jvz(A), 5jw1(A), 6bl3(A), 6bl4(A), 6ofy(A), 6v3r(A).
		3. Ligand: NAG-NAG-NAG × 5 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB codes: 1pxx(A), 3ln0(A), 3ln1(A), 3mqe(A), 3ntb(A).
		4. Ligand: NAG-NAG-MAN × 4 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, MAN=Alpha-D-Mannopyranose. PDB codes: 3krk(A), 3olt(A), 4ph9(A), 5jvy(A).
		5. Ligand: NAG-NAG-MAN-MAN × 3 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, MAN=Alpha-D-Mannopyranose. PDB codes: 1cvu(A), 1dcx(A), 1dd0(A).
		6. Ligand: NAG-NAG-BMA × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose. PDB code: 3qmo(A).

Cluster 4 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3qmo(A).
		2. Ligand: HEM × 25 Protoporphyrin IX containing fe PDB codes: 1pxx(A), 3pgh(A), 4cox(A), 5cox(A), 6cox(A), 1cx2(A), 3ln0(A), 3ln1(A), 3mqe(A), 3nt1(A), 3ntb(A), 3ntg(A), 3q7d(A), 3qmo(A), 3rr3(A), 4fm5(A), 4m10(A), 4m11(A), 4otj(A), 4ph9(A), 4z0l(A), 5w58(A), 6bl3(A), 6bl4(A), 6v3r(A).
		3. Ligand: COH × 16 Protoporphyrin IX containing co PDB codes: 3hs5(A), 3hs6(A), 3hs7(A), 3krk(A), 3mdl(A), 3olt(A), 3olu(A), 3qh0(A), 3tzi(A), 4e1g(A), 4rut(A), 5fdq(A), 5jvy(A), 5jvz(A), 5jw1(A), 6ofy(A).
		4. Ligand: BOG × 3 Octyl beta-D-Glucopyranoside PDB codes: 1cvu(A), 1dcx(A), 1dd0(A).

Cluster 5 contains 4 ligand types

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Ligand		Description
		1. Ligand: NAG × 33 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 1cx2(A), 1pxx(A), 3ln0(A), 3ln1(A), 3mqe(A), 3nt1(A), 3ntb(A), 3pgh(A), 3q7d(A), 3rr3(A), 4cox(A), 4m10(A), 4m11(A), 4otj(A), 4oty(A), 4ph9(A), 4rrw(A), 4rrx(A), 4rry(A), 4rrz(A), 4rs0(A), 4rut(A), 4z0l(A), 5cox(A), 5jvy(A), 5jvz(A), 5jw1(A), 5w58(A), 6bl3(A), 6bl4(A), 6cox(A), 6ofy(A), 6v3r(A).
		2. Ligand: NAG-NAG × 14 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB codes: 1cvu(A), 1dcx(A), 1dd0(A), 1ddx(A), 3hs5(A), 3hs6(A), 3hs7(A), 3krk(A), 3mdl(A), 3olt(A), 3olu(A), 3tzi(A), 4e1g(A), 5fdq(A).
		3. Ligand: HSQ-NAG × 1 HSQ=2-Acetylamino-2-Deoxy-Alpha-L-Idopyranose, NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB code: 3qh0(A).
		4. Ligand: NAG-NDG × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, NDG=2-Acetamido-2-Deoxy-Alpha-D-Glucopyranose. PDB code: 3qmo(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: BOG × 10 Octyl beta-D-Glucopyranoside PDB codes: 1ddx(A), 1cvu(A), 1dcx(A), 1dd0(A), 3nt1(A), 3q7d(A), 4rrx(A), 5w58(A), 6bl3(A), 6bl4(A).