Ligand clusters for UniProt code P68871

Ligand clusters for P68871: Hemoglobin subunit beta from Homo sapiens

		Top 6 (of 12) ligand clusters Cluster 1. 22 ligand types 289 ligands Cluster 2. 23 ligand types 85 ligands Cluster 3. 4 ligand types 4 ligands Cluster 4. 4 ligand types 5 ligands Cluster 5. 3 ligand types 3 ligands Cluster 6. 1 ligand type 5 ligands
Representative protein: 1dxtB

Structures

PDB		Schematic diagram
1dxtB
1ye1B
4fc3B
2h35B
1j40B
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Cluster 1 contains 22 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: MBN × 2 toluene Toluene PDB codes: 3onz(B),
		2. Ligand: HEM × 157 Protoporphyrin IX containing fe PDB codes: 1a00(B), 1a01(B), 1a0u(B), 1a0z(B), 1a3n(B), 1a3o(B), 1abw(B), 1b86(B), 1bab(B), 1bij(B), 1bz0(B), 1bz1(B), 1bzz(B), 1c7b(B), 1c7c(B), 1c7d(B), 1cbl(A), 1cls(B), 1cmy(B), 1dke(B), 1dxt(B), 1dxu(B), 1dxv(B), 1g9v(B), 1gbu(B), 1gbv(B), 1gli(B), 1hba(B), 1hbb(B), 1hbs(B), 1hdb(B), 1hga(B), 1hgb(B), 1hgc(B), 1j41(B), 1j7s(B), 1j7w(B), 1jy7(B), 1k0y(B), 1kd2(B), 1lfl(B), 1lfq(B), 1lft(B), 1lfv(B), 1lfy(B), 1lfz(B), 1o1j(B), 1o1k(B), 1o1l(B), 1o1m(B), 1o1n(B), 1o1o(B), 1o1p(B), 1qi8(B), 1qxd(B), 1r1y(B), 1rq3(B), 1thb(B), 1uiw(B), 1vwt(B), 1xxt(B), 1xy0(B), 1xye(B), 1xz2(B), 1xz4(B), 1xz5(B), 1xz7(B), 1xzu(B), 1xzv(B), 1y09(B), 1y0a(B), 1y0c(B), 1y0d(B), 1y0t(B), 1y0w(B), 1y22(B), 1y2z(B), 1y31(B), 1y35(B), 1y45(B), 1y46(B), 1y4b(B), 1y4f(B), 1y4g(B), 1y4p(B), 1y4q(B), 1y4r(B), 1y4v(B), 1y5f(B), 1y5j(B), 1y5k(B), 1y7c(B), 1y7d(B), 1y7g(B), 1y7z(B), 1y83(B), 1y85(B), 1ye1(B), 2d5z(B), 2d60(B), 2dn2(B), 2dxm(B), 2hbs(B), 2hhb(B), 2hhd(B), 2hhe(B), 2w6v(B), 2w72(B), 2yrs(B), 3dut(B), 3hhb(B), 3kmf(C), 3nmm(B), 3odq(B), 3onz(B), 3p5q(B), 3qjd(B), 3qje(B), 3szk(B), 3wcp(B), 3whm(B), 4fc3(B), 4hhb(B), 4ij2(B), 4m4b(B), 4mqh(B), 4mqi(B), 4n7n(B), 4n7o(B), 4n7p(B), 4rol(B), 4rom(B), 4xs0(B), 5e29(B), 5jdo(D), 5kdq(B), 5ksi(B), 5ksj(B), 5me2(B), 5ni1(B), 5wog(C), 5woh(B), 5x2r(B), 5x2s(B), 5x2t(B), 5x2u(B), 6bwp(B), 6fqf(A), 6hal(B), 6hbw(B), 6hk2(B), 6kai(B), 6nbc(B), 6nbd(B), 6nq5(B), 6tb2(B).
		3. Ligand: HEM-CMO × 52 HEM=Protoporphyrin IX containing fe, CMO=Carbon monoxide. PDB codes: 1aj9(B), 1bbb(B), 1cbm(A), 1ch4(A), 1hab(B), 1hac(B), 1hco(B), 1ird(B), 1j40(B), 1j7y(B), 1k1k(B), 1m9p(B), 1nej(B), 1nih(B), 1rvw(B), 1sdk(B), 1sdl(B), 1yff(B), 1yvq(B), 1yvt(B), 2dn3(B), 2hco(B), 3hxn(B), 3nl7(B), 3qjb(B), 3qjc(B), 3s65(B), 3s66(B), 3w4u(B), 4mqc(B), 4mqg(B), 5e83(B), 5sw7(B), 5u3i(B), 5ufj(B), 6kah(B), 6kao(B), 6kap(B), 6kaq(B), 6kar(B), 6kas(B), 6kat(B), 6kau(B), 6kav(B), 6kye(B), 6l5v(B), 6l5w(B), 6l5x(B), 6l5y(B), 7jxz(B), 7jy0(B), 7jy1(B).
		4. Ligand: HEM-OXY × 27 HEM=Protoporphyrin IX containing fe, OXY=Oxygen molecule. PDB codes: 1gzx(B), 1hho(B), 1y8w(B), 1ydz(B), 1ye0(B), 1ye2(B), 1yen(B), 1yeo(B), 1yeq(B), 1yeu(B), 1yev(B), 1yg5(B), 1ygd(B), 1ygf(B), 1yh9(B), 1yhe(B), 1yie(B), 1yih(B), 2dn1(B), 3b75(B), 4wjg(B), 4x0l(B), 5ee4(D), 5hu6(B), 5hy8(B), 6bb5(B), 7jy3(B).
		5. Ligand: CMO-HEM × 15 CMO=Carbon monoxide, HEM=Protoporphyrin IX containing fe. PDB codes: 1ljw(B), 1mko(B), 1r1x(B), 1yzi(B), 3d17(B), 4ni0(B), 4ni1(B), 5e6e(B), 5urc(B), 6bnr(B), 6bwu(B), 6di4(B), 6xd9(B), 6xdt(B), 6xe7(B).
		6. Ligand: HNI × 7 Protoporphyrin IX containing ni(ii) PDB codes: 1fn3(B), 1j3y(B), 1j3z(B), 6ka9(B), 6kae(B), 6lcw(B), 6lcx(B).
		7. Ligand: HEM-_NO × 5 HEM=Protoporphyrin IX containing fe, NO=Nitric oxide. PDB codes: 1buw(B), 1rps(B), 1rq4(B), 1rqa(B), 4n8t(B).
		8. Ligand: OXY-HEM × 5 OXY=Oxygen molecule, HEM=Protoporphyrin IX containing fe. PDB codes: 1qxe(B), 1yhr(B), 3ic0(B), 3ic2(B), 3r5i(B).
		9. Ligand: CYN-HEM × 3 CYN=Cyanide ion, HEM=Protoporphyrin IX containing fe. PDB codes: 1aby(B), 1nqp(B), 1o1i(B).
		10. Ligand: HEC × 2 Heme c PDB codes: 2h35(B), 2m6z(B).
		11. Ligand: HEG × 2 Protoporphyrin IX containing mg PDB codes: 1qsh(B), 1qsi(B).
		12. Ligand: HEM-NO2 × 2 NO2=Nitrite ion, HEM=Protoporphyrin IX containing fe. PDB codes: 3d7o(B), 3oo4(B).
		13. Ligand: COH × 1 Protoporphyrin IX containing co PDB code: 1coh(B).
		14. Ligand: HEM-ENC × 1 HEM=Protoporphyrin IX containing fe, ENC=Ethyl isocyanide. PDB code: 2hbc(B).
		15. Ligand: HEM-H2S × 1 HEM=Protoporphyrin IX containing fe, H2S=Hydrosulfuric acid. PDB code: 5ucu(B).
		16. Ligand: HEM-K7M × 1 HEM=Protoporphyrin IX containing fe, K7M=(2r)-N-Hydroxy-1-Phenylpropan-2-Amine. PDB code: 7jjq(B).
		17. Ligand: HEM-MNC × 1 HEM=Protoporphyrin IX containing fe, MNC=Methyl isocyanide. PDB code: 2hbd(B).
		18. Ligand: HEM-NBN × 1 HEM=Protoporphyrin IX containing fe, NBN=N-Butyl isocyanide. PDB code: 2hbe(B).
		19. Ligand: HEM-NPN × 1 HEM=Protoporphyrin IX containing fe, NPN=N-Propyl isocyanide. PDB code: 2hbf(B).
		20. Ligand: HEM-NSM × 1 HEM=Protoporphyrin IX containing fe, NSM=Nitrosomethane. PDB code: 4m4a(B).
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Cluster 2 contains 23 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 1yvt(B), 4m4a(B), 5ee4(D).
		2. Ligand: FRU × 1 fructose Beta-D-Fructofuranose PDB code: 3b75(B).
		3. Ligand: GLC × 1 d-glucose Alpha-D-Glucopyranose PDB code: 3b75(B).
		4. Ligand: SO4 × 27 Sulfate ion PDB codes: 1bab(B), 1cbl(A), 1cbm(A), 1cls(B), 1dxu(B), 1dxv(B), 1g9v(B), 1gbu(B), 1hdb(B), 1j7y(B), 1k0y(B), 1qxd(B), 1qxe(B), 1vwt(B), 2hhd(B), 2w6v(B), 2w72(B), 3r5i(B), 4rol(B), 4rom(B), 6hk2(B).
		5. Ligand: 2FU × 12 But-2-Enedial PDB codes: 1bij(B), 1j3y(B), 1j3z(B), 1j40(B), 1j41(B), 1uiw(B), 6ka9(B), 6kae(B), 6kah(B), 6kai(B), 6lcw(B), 6lcx(B).
		6. Ligand: DG2 × 6 2,3-Diphosphoglyceric acid PDB codes: 1b86(B), 3wcp(B), 4l7y(B), 5ksi(B),
		7. Ligand: PO4 × 6 Phosphate ion PDB codes: 1ljw(B), 1mko(B), 1yff(B), 3d17(B), 4ni0(B).
		8. Ligand: 2JX × 3 5-[(2r)-2,3-Dihydro-1,4-Benzodioxin-2-Yl]-2,4-Dihydro- 3h-1,2,4-Triazole-3-Thione PDB codes: 4ni1(B),
		9. Ligand: 2P3 × 3 5-[(2s)-2,3-Dihydro-1,4-Benzodioxin-2-Yl]-2,4-Dihydro- 3h-1,2,4-Triazole-3-Thione PDB codes: 4ni0(B),
		10. Ligand: IHP × 3 Inositol hexakisphosphate PDB codes: 1nih(B), 1thb(B), 3hxn(B).
		11. Ligand: L35 × 3 2-[4-({[(3,5-Dichlorophenyl)amino]carbonyl}amino) phenoxy]-2-Methylpropanoic acid PDB codes: 2d5z(B), 2d60(B).
		12. Ligand: B77 × 2 2-[(2-Methoxy-5-Methylphenoxy)methyl]pyridine PDB codes: 3ic0(B),
		13. Ligand: CNO × 2 2-{4-[(3{2-[4-(1-Carboxy-1-Methyl-Ethoxy)-Phenyl]- Acetylamino}-Phenylcarbamoyl)-Methyl]-Phenoxy}- 2- Methyl-Propionic acid PDB codes: 1k0y(B),
		14. Ligand: RQ3 × 2 2-{4-[(3,5-Dimethylanilino)-Carbonyl-Methyl]-Phenoxy}- 2-Methylpropionic acid PDB codes: 1g9v(B), 5e29(B).
		15. Ligand: S1P × 2 (2s,3r,4e)-2-Amino-3-Hydroxyoctadec-4-En-1-Yl dihydrogen phosphate PDB codes: 5ksi(B), 5ksj(B).
		16. Ligand: TMM × 2 1,3,5-Benzenetricarboxylic acid PDB codes: 1sdk(B), 1sdl(B).
		17. Ligand: 5JN × 1 2-(Nitrooxy)ethyl 2-(4-{2-[(3,5-Dimethylphenyl)amino]- 2-Oxoethyl}phenoxy)-2-Methylpropanoate PDB code: 5e29(B).
		18. Ligand: CIN × 1 4-Carboxycinnamic acid PDB code: 1hab(B).
		19. Ligand: EBJ × 1 1h-1,2,3-Triazole-5-Thiol PDB code: 6bwu(B).
		20. Ligand: G7Z × 1 3-[2,5-Bis(oxidanylidene)pyrrolidin-1-Yl]-~{N}-Methyl- Propanamide PDB code: 6hk2(B).
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Cluster 3 contains 4 ligand types

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Ligand		Description
		1. Ligand: EBJ × 1 1h-1,2,3-Triazole-5-Thiol PDB code: 6bwp(B).
		2. Ligand: G7Z × 1 3-[2,5-Bis(oxidanylidene)pyrrolidin-1-Yl]-~{N}-Methyl- Propanamide PDB code: 6hk2(B).
		3. Ligand: NO3 × 1 Nitrate ion PDB code: 5e29(B).
		4. Ligand: O4B × 1 1,4,7,10,13,16-Hexaoxacyclooctadecane PDB code: 7jy1(B).

Cluster 4 contains 4 ligand types

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Ligand		Description
		1. Ligand: FRU × 1 fructose Beta-D-Fructofuranose PDB code: 5hy8(B).
		2. Ligand: PO4 × 2 Phosphate ion PDB codes: 1mko(B), 4ni0(B).
		3. Ligand: SO4 × 1 Sulfate ion PDB code: 6hk2(B).
		4. Ligand: UNL × 1 Unknown ligand PDB code: 5e83(B).

Cluster 5 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4x0l(B).
		2. Ligand: S1P × 1 (2s,3r,4e)-2-Amino-3-Hydroxyoctadec-4-En-1-Yl dihydrogen phosphate PDB code: 5ksi(B).
		3. Ligand: SO4 × 1 Sulfate ion PDB code: 4x0l(B).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: O4B × 5 1,4,7,10,13,16-Hexaoxacyclooctadecane PDB codes: 3whm(B), 7jxz(B), 7jy0(B), 7jy1(B), 7jy3(B).