Ligand clusters for UniProt code P00441

Ligand clusters for P00441: Superoxide dismutase [Cu-Zn] from Homo sapiens

		Top 6 (of 22) ligand clusters Cluster 1. 21 ligand types 50 ligands Cluster 2. 13 ligand types 16 ligands Cluster 3. 7 ligand types 11 ligands Cluster 4. 9 ligand types 211 ligands Cluster 5. 3 ligand types 5 ligands Cluster 6. 4 ligand types 5 ligands
Representative protein: 6dtkA

Structures

PDB		Schematic diagram
6dtkA
5ytoA
6folB
1l3nA
6fonB
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Cluster 1 contains 21 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: CPT × 2 cisplatin Cisplatin PDB codes: 3re0(A),
		2. Ligand: CYS × 1 cysteine PDB code: 4ff9(A).
		3. Ligand: 9JT × 5 ~{N}-Phenyl-2-Selanyl-Benzamide PDB codes: 5o40(A), 6sph(A), 6z4g(A), 7t8f(A).
		4. Ligand: D7Z × 4 Ptcl2(1(r),2(r)-Dach) PDB codes: 6ffk(A),
		5. Ligand: Q8E × 4 PDB codes: 6z4m(A), 7t8h(A),
		6. Ligand: Q8H × 4 PDB codes: 6z4l(A), 7t8g(A),
		7. Ligand: S4P × 4 Dihydrogen tetrasulfide PDB codes: 5ytu(A), 5yul(A), 6a9o(A).
		8. Ligand: LQW × 3 ~{N}-[(4-Chlorophenyl)methyl]-2-Selanyl-Benzamide PDB codes: 6spi(A), 6z4h(A),
		9. Ligand: PS5 × 3 Pentasulfide-Sulfur PDB codes: 3k91(A), 5yto(A).
		10. Ligand: 9JK × 2 ~{N}-Phenyl-2-Sulfanyl-Benzamide PDB codes: 5o3y(A),
		11. Ligand: ACT × 2 Acetate ion PDB codes: 2wyt(A), 4a7s(A).
		12. Ligand: LR2 × 2 ~{N}-Pyridin-2-Yl-2-Selanyl-Benzamide PDB codes: 6spj(A),
		13. Ligand: Q6H × 2 PDB codes: 6z3v(A),
		14. Ligand: Q7N × 2 PDB codes: 6z4k(A),
		15. Ligand: Q7T × 2 PDB codes: 6z4o(A),
		16. Ligand: Q7W × 2 PDB codes: 6z4j(A),
_Zn		17. Metal: _ZN × 2 PDB codes: 2xjk(A), 2xjl(A).
		18. Ligand: LQN × 1 2-Selanyl-~{N}-[3-[4-(Trifluoromethyl) phenyl]phenyl]benzamide PDB code: 6spk(A).
		19. Ligand: Q85 × 1 PDB code: 6z4i(A).
		20. Ligand: Q85-Q85 × 1 PDB code: 6z4i(A).
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Cluster 2 contains 13 ligand types

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Ligand		Description
		1. Ligand: 5FW × 2 isoprenaline Isoprenaline PDB codes: 4a7t(A),
		2. Ligand: ALE × 1 epinephrine L-Epinephrine PDB code: 4a7u(A).
		3. Ligand: LDP × 1 dopamine L-Dopamine PDB code: 4a7v(A).
		4. Ligand: MET × 1 methionine PDB code: 2wz5(A).
		5. Ligand: MLI × 2 Malonate ion PDB codes: 5wor(A),
		6. Ligand: SO4 × 2 Sulfate ion PDB codes: 6spj(A), 6spk(A).
		7. Ligand: 12I × 1 4-(4-Methylpiperazin-1-Yl)quinazoline PDB code: 4a7g(A).
		8. Ligand: 4MQ × 1 4-(4-Methyl-1,4-Diazepan-1-Yl)quinazoline PDB code: 4a7q(A).
		9. Ligand: 5UD × 1 5-Fluorouridine PDB code: 4a7s(A).
		10. Ligand: ACT × 1 Acetate ion PDB code: 2xjl(A).
		11. Ligand: ORA × 1 7-Hydroxy-8-[(E)-Phenyldiazenyl]naphthalene-1,3- Disulfonic acid PDB code: 6b79(A).
		12. Ligand: ZO0 × 1 4-(4-Methyl-1,4-Diazepan-1-Yl)-2-(Trifluoromethyl) quinazoline PDB code: 2wz6(A).
		13. Ligand: ZZT × 1 2-Methoxy-5-Methylaniline PDB code: 2wz0(A).

Cluster 3 contains 7 ligand types

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 4bd4(F),
		2. Ligand: ALE × 1 epinephrine L-Epinephrine PDB code: 4a7u(A).
		3. Ligand: PPI × 1 propanoic acid Propanoic acid PDB code: 6fp6(A).
		4. Ligand: ACT × 2 Acetate ion PDB codes: 4a7g(A), 4a7t(A).
		5. Ligand: SO4 × 2 Sulfate ion PDB codes: 2c9s(A), 6spj(A).
		6. Ligand: 12I × 1 4-(4-Methylpiperazin-1-Yl)quinazoline PDB code: 4a7g(A).
		7. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 2xjl(A).

Cluster 4 contains 9 ligand types

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 5yto(A), 6a9o(A), 6spa(A).
		2. Ligand: DMS × 2 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 6spa(A), 6spj(A).
_Zn		3. Metal: _ZN × 131 PDB codes: 1azv(A), 1dsw(A), 1fun(A), 1hl4(A), 1hl5(A), 1l3n(A), 1mfm(A), 1n18(A), 1n19(A), 1oez(W), 1ozu(A), 1p1v(A), 1ptz(A), 1pu0(A), 1uxl(A), 1uxm(A), 2c9s(A), 2c9u(A), 2c9v(A), 2gbt(A), 2gbv(A), 2nnx(A), 2v0a(A), 2vr6(A), 2wyt(A), 2wyz(A), 2wz0(A), 2wz5(A), 2wz6(A), 2xjk(A), 2xjl(A), 2zkw(A), 2zkx(A), 2zky(A), 3cqp(A), 3cqq(A), 3gqf(A), 3gtv(A), 3h2p(A), 3h2q(A), 3hff(A), 3kh3(A), 3kh4(A), 3ltv(A), 3qqd(A), 3t5w(A), 4a7g(A), 4a7q(A), 4a7s(A), 4a7t(A), 4a7u(A), 4a7v(A), 4b3e(A), 4bcy(A), 4ff9(A), 4mcm(A), 4oh2(A), 5k02(A), 5o3y(A), 5o40(A), 5u9m(A), 5yto(A), 5ytu(A), 5yul(A), 6a9o(A), 6dtk(A), 6foi(A), 6fol(B), 6fon(B), 6fp6(A), 6spa(A), 6sph(A), 6spi(A), 6spj(A), 6spk(A), 6z3v(A), 6z4g(A), 6z4h(A), 6z4i(A), 6z4j(A), 6z4k(A), 6z4l(A), 6z4m(A), 6z4o(A), 7fb6(A), 7fb9(A), 7nxx(A), 7t8e(A), 7t8f(A), 7t8g(A), 7t8h(A),
		4. Ligand: SO4 × 63 Sulfate ion PDB codes: 1oez(W), 1ozu(A), 1p1v(A), 1uxl(A), 2c9s(A), 2c9u(A), 2c9v(A), 2v0a(A), 2vr6(A), 2wyt(A), 2wyz(A), 2wz0(A), 2wz5(A), 2wz6(A), 3gzq(A), 3h2q(A), 3qqd(A), 3t5w(A), 4a7g(A), 4a7q(A), 4a7s(A), 4a7t(A), 4a7u(A), 4a7v(A), 4mcm(A), 4mcn(A), 5o3y(A), 5o40(A), 6flh(A), 6foi(A), 6sph(A), 6spi(A), 6spj(A), 6spk(A), 6z3v(A), 6z4h(A), 6z4i(A), 6z4l(A), 6z4o(A), 7t8e(A), 7t8g(A), 7t8h(A).
		5. Ligand: ACT × 5 PDB codes: 6z4g(A), 6z4i(A), 7t8e(A), 7t8f(A).
		6. Ligand: MLI × 3 Malonate ion PDB codes: 3cqp(A), 3h2p(A),
_Cu		7. Metal: _CU × 2 PDB codes: 5k02(A), 6dtk(A).
		8. Ligand: CO3 × 1 Carbonate ion PDB code: 4b3e(A).
		9. Ligand: TAM × 1 Tris(hydroxyethyl)aminomethane PDB code: 5ytu(A).

Cluster 5 contains 3 ligand types

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Ligand		Description
		1. Ligand: SO4 × 3 Sulfate ion PDB codes: 6spi(A), 6spk(A),
		2. Ligand: MLI × 1 Malonate ion PDB code: 3cqp(A).
		3. Ligand: U5P × 1 Uridine-5'-Monophosphate PDB code: 2wyz(A).

Cluster 6 contains 4 ligand types

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Ligand		Description
		1. Ligand: 5FW × 1 isoprenaline Isoprenaline PDB code: 4a7t(A).
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 6fp6(A).
		3. Ligand: SO4 × 2 Sulfate ion PDB codes: 6spj(A), 6spk(A).
_Zn		4. Metal: _ZN × 1 PDB code: 3hff(A).