Ligand clusters for UniProt code P80025

Ligand clusters for P80025: Lactoperoxidase OS=Bos taurus OX=9913 GN=LPO PE=1 SV=1

		Top 6 (of 46) ligand clusters Cluster 1. 28 ligand types 86 ligands Cluster 2. 5 ligand types 50 ligands Cluster 3. 10 ligand types 63 ligands Cluster 4. 3 ligand types 49 ligands Cluster 5. 3 ligand types 49 ligands Cluster 6. 6 ligand types 9 ligands
Representative protein: 2ipsA

Structures

PDB		Schematic diagram
2ipsA
5glsA
4kszA
6l2jA
5zgsA
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Cluster 1 contains 28 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: PZA × 3 pyrazinamide Pyrazine-2-Carboxamide PDB codes: 3r4x(A), 3tuw(A).
		2. Ligand: AIN × 2 acetylsalicylic acid 2-(Acetyloxy)benzoic acid PDB codes: 2qqt(A), 3gcl(A).
		3. Ligand: ASC × 1 ascorbic acid Ascorbic acid PDB code: 3tgy(A).
		4. Ligand: CYS × 1 cysteine PDB code: 4ksz(A).
		5. Ligand: EUG × 1 isoeugenol 2-Methoxy-4-[(1e)-Prop-1-En-1-Yl]phenol PDB code: 3r5o(A).
		6. Ligand: GOL × 1 glycerin Glycerol PDB code: 6l5g(A).
		7. Ligand: IMN × 1 indomethacin Indomethacin PDB code: 3ogw(A).
		8. Ligand: ISZ × 1 isoniazid 4-(Diazenylcarbonyl)pyridine PDB code: 3i6n(A).
		9. Ligand: NIM × 1 nimesulide 4-Nitro-2-Phenoxymethanesulfonanilide PDB code: 3ql6(A).
		10. Ligand: TYL × 1 acetaminophen N-(4-Hydroxyphenyl)acetamide (tylenol) PDB code: 3py4(A).
		11. Ligand: HEM × 5 Protoporphyrin IX containing fe PDB codes: 2ips(A), 2nqx(A), 2pt3(A), 2pum(A), 2qrb(A).
		12. Ligand: OSM × 1 1-(Oxidosulfanyl)methanamine PDB code: 2nqx(A).
		13. Ligand: PO4 × 1 Phosphate ion PDB code: 2pt3(A).
		14. Ligand: HEM × 42 Protoporphyrin IX containing fe PDB codes: 2qpk(A), 2qqt(A), 3bxi(A), 3eri(A), 3gc1(A), 3gcj(A), 3gck(A), 3gcl(A), 3i6n(A), 3krq(A), 3ogw(A), 3py4(A), 3q9k(A), 3ql6(A), 3r4x(A), 3r5o(A), 3s4f(A), 3tgy(A), 3tuw(A), 3uba(A), 3v6q(A), 4gm7(A), 4ksz(A), 4njb(A), 4nt3(A), 4pnx(A), 5b72(A), 5gh0(A), 5gls(A), 5wv3(A), 5zgs(A), 6a4y(A), 6kmk(A), 6ky7(A), 6l2j(A), 6l2v(A), 6l5g(A), 6lco(A), 6m7e(A), 7dlq(A), 7dn6(A), 7dn7(A).
		15. Ligand: OSM × 9 1-(Oxidosulfanyl)methanamine PDB codes: 3bxi(A), 5zgs(A), 6ky7(A), 6l2j(A), 6l2v(A), 6lco(A), 7dlq(A), 7dn6(A), 7dn7(A).
		16. Ligand: 3TR × 2 3-Amino-1,2,4-Triazole PDB codes: 3krq(A),
		17. Ligand: SHA × 2 Salicylhydroxamic acid PDB codes: 2qpk(A), 3gcj(A).
		18. Ligand: 3OP × 1 3,3'-Oxydipyridine PDB code: 4njb(A).
		19. Ligand: BHO × 1 Benzhydroxamic acid PDB code: 3gck(A).
		20. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6lco(A).
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Cluster 2 contains 5 ligand types

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Ligand		Description
		1. Ligand: NAG × 19 n-acetylglucosamine N-Acetyl-D-Glucosamine PDB codes: 3q9k(A), 3ql6(A), 3r5o(A), 3tuw(A), 3uba(A), 3v6q(A), 4gm7(A), 4ksz(A), 4nt3(A), 4pnx(A), 5b72(A), 5gls(A), 5zgs(A), 6kmk(A), 6ky7(A), 6lco(A), 6m7e(A), 7dn6(A), 7dn7(A).
		2. Ligand: NAG-NAG × 27 NAG=N-Acetyl-D-Glucosamine. PDB codes: 2gj1(A), 2ips(A), 2nqx(A), 2pt3(A), 2pum(A), 2qpk(A), 2qqt(A), 2qrb(A), 3bxi(A), 3eri(A), 3gc1(A), 3gcj(A), 3gck(A), 3gcl(A), 3i6n(A), 3ogw(A), 3py4(A), 3r4x(A), 3s4f(A), 3tgy(A), 4njb(A), 5gh0(A), 5wv3(A), 5yd9(A), 6a4y(A), 6l5g(A), 7dlq(A).
		3. Ligand: NAG-NAG-BMA-MAN-MAN-MAN × 2 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose. PDB codes: 6l2j(A), 6l2v(A).
		4. Ligand: NAG-NAG-BMA × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose. PDB code: 3krq(A).
		5. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 3s4f(A).

Cluster 3 contains 10 ligand types

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Ligand		Description
		1. Ligand: NAG × 29 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 3ogw(A), 3py4(A), 3q9k(A), 3ql6(A), 3r4x(A), 3r5o(A), 3s4f(A), 3tgy(A), 3tuw(A), 3uba(A), 4gm7(A), 4ksz(A), 4njb(A), 4nt3(A), 4pnx(A), 5b72(A), 5gh0(A), 5gls(A), 5wv3(A), 5yd9(A), 5zgs(A), 6a4y(A), 6kmk(A), 6ky7(A), 6l2j(A), 6l2v(A), 6l5g(A), 6lco(A), 6m7e(A).
		2. Ligand: GOL × 7 glycerin Glycerol PDB codes: 3ogw(A), 3r4x(A), 3r5o(A), 3tuw(A), 3uba(A), 4gm7(A), 6l5g(A).
		3. Ligand: CO3 × 3 Carbonate ion PDB codes: 2gj1(A), 2ips(A), 2nqx(A).
		4. Ligand: PO4 × 2 Phosphate ion PDB codes: 2pt3(A),
		5. Ligand: NAG-NAG-MAN × 15 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, MAN=Alpha-D-Mannopyranose. PDB codes: 2ips(A), 2nqx(A), 2pt3(A), 2pum(A), 2qpk(A), 2qqt(A), 2qrb(A), 3bxi(A), 3eri(A), 3gc1(A), 3gcj(A), 3gck(A), 3gcl(A), 3i6n(A), 3krq(A).
		6. Ligand: CO3 × 1 Carbonate ion PDB code: 5gh0(A).
		7. Ligand: OSM × 3 1-(Oxidosulfanyl)methanamine PDB codes: 5wv3(A), 6ky7(A).
		8. Ligand: NAG-NAG × 1 NAG=N-Acetyl-D-Glucosamine. PDB code: 2gj1(A).
		9. Ligand: NO3 × 1 Nitrate ion PDB code: 3bxi(A).
		10. Ligand: SO4 × 1 Sulfate ion PDB code: 5b72(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: NAG × 9 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 3ogw(A), 4pnx(A), 5gh0(A), 5wv3(A), 5yd9(A), 6a4y(A), 6kmk(A), 6ky7(A), 6l5g(A).
		2. Ligand: NAG-NAG × 23 NAG=N-Acetyl-D-Glucosamine. PDB codes: 3q9k(A), 3ql6(A), 3r4x(A), 3r5o(A), 3s4f(A), 3tgy(A), 3tuw(A), 3uba(A), 3v6q(A), 4gm7(A), 4ksz(A), 4njb(A), 4nt3(A), 5b72(A), 5gls(A), 5zgs(A), 6l2j(A), 6l2v(A), 6lco(A), 6m7e(A), 7dlq(A), 7dn6(A), 7dn7(A).
		3. Ligand: NAG-NAG-MAN × 17 NAG=N-Acetyl-D-Glucosamine, MAN=Alpha-D-Mannose. PDB codes: 2gj1(A), 2ips(A), 2nqx(A), 2pt3(A), 2pum(A), 2qpk(A), 2qqt(A), 2qrb(A), 3bxi(A), 3eri(A), 3gc1(A), 3gcj(A), 3gck(A), 3gcl(A), 3i6n(A), 3krq(A), 3py4(A).

Cluster 5 contains 3 ligand types

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Ligand		Description
		1. Ligand: NAG × 32 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 3py4(A), 3q9k(A), 3ql6(A), 3r4x(A), 3r5o(A), 3s4f(A), 3tgy(A), 3tuw(A), 3uba(A), 3v6q(A), 4gm7(A), 4ksz(A), 4njb(A), 4nt3(A), 4pnx(A), 5b72(A), 5gh0(A), 5gls(A), 5wv3(A), 5yd9(A), 5zgs(A), 6a4y(A), 6kmk(A), 6ky7(A), 6l2j(A), 6l2v(A), 6l5g(A), 6lco(A), 6m7e(A), 7dlq(A), 7dn6(A), 7dn7(A).
		2. Ligand: NAG-NAG × 14 NAG=N-Acetyl-D-Glucosamine. PDB codes: 2gj1(A), 2nqx(A), 2pt3(A), 2pum(A), 2qpk(A), 2qqt(A), 2qrb(A), 3bxi(A), 3gc1(A), 3gcj(A), 3gck(A), 3gcl(A), 3i6n(A), 3ogw(A).
		3. Ligand: NAG-NDG × 3 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, NDG=2-Acetamido-2-Deoxy-Alpha-D-Glucopyranose. PDB codes: 2ips(A), 3eri(A), 3krq(A).

Cluster 6 contains 6 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5wv3(A).
		2. Ligand: OSM × 4 1-(Oxidosulfanyl)methanamine PDB codes: 5b72(A), 6l2j(A), 6l2v(A).
		3. Ligand: EDO × 1 1,2-Ethanediol PDB code: 3py4(A).
		4. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 3ogw(A).
		5. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 3s4f(A).
		6. Ligand: PGE × 1 Triethylene glycol PDB code: 5b72(A).