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EBI Databases Structure Databases PDBsum

Ligand clusters for UniProt code P69905

Ligand clusters for P69905: Hemoglobin subunit alpha from Homo sapiens

Top 6 (of 16) ligand clusters
Cluster 1.
27 ligand types
299 ligands
 Cluster 2.
38 ligand types
79 ligands
 Cluster 3.
1 ligand type
1 ligand
 Cluster 4.
1 ligand type
9 ligands
 Cluster 5.
4 ligand types
4 ligands
 Cluster 6.
2 ligand types
6 ligands
Representative protein: 1c7dA  
JSmol
 

Structures

PDB   Schematic diagram
1c7dA    
1o1lA    
1o1pA    
1o1mA    
1o1jA    
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 Cluster 1 contains 27 ligand types (of which only 20 are listed. Click for all)

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Ligand Description


 
1. Ligand: HEM × 151
Protoporphyrin IX containing fe
PDB codes: 1a00(A), 1a01(A), 1a0u(A), 1a0z(A), 1a3n(A), 1a3o(A), 1abw(A), 1aby(A), 1bij(A), 1bz0(A), 1bz1(A), 1bzz(A), 1c7b(A), 1c7c(A), 1c7d(A), 1cmy(A), 1dke(A), 1dxt(A), 1dxu(A), 1dxv(A), 1fdh(A), 1g9v(A), 1gbu(A), 1gli(A), 1hba(A), 1hbb(A), 1hbs(A), 1hdb(A), 1hga(A), 1hgb(A), 1j3y(A), 1j7s(A), 1j7w(A), 1j7y(A), 1jy7(A), 1k0y(A), 1kd2(A), 1lfl(A), 1lfq(A), 1lft(A), 1lfv(A), 1lfy(A), 1lfz(A), 1o1j(A), 1o1k(A), 1o1l(A), 1o1m(A), 1o1n(A), 1o1o(A), 1o1p(A), 1qi8(A), 1qsh(A), 1qxd(A), 1r1y(A), 1rq3(A), 1shr(A), 1uiw(A), 1vwt(A), 1xxt(A), 1xy0(A), 1xye(A), 1xz2(A), 1xz4(A), 1xz5(A), 1xz7(A), 1xzu(A), 1xzv(A), 1y09(A), 1y0a(A), 1y0c(A), 1y0d(A), 1y0t(A), 1y0w(A), 1y22(A), 1y2z(A), 1y31(A), 1y35(A), 1y45(A), 1y46(A), 1y4b(A), 1y4f(A), 1y4g(A), 1y4p(A), 1y4q(A), 1y4r(A), 1y4v(A), 1y5f(A), 1y5j(A), 1y5k(A), 1y7c(A), 1y7d(A), 1y7g(A), 1y7z(A), 1y83(A), 1y85(A), 1ye1(A), 1z8u(B), 2d5z(A), 2d60(A), 2dn2(A), 2dxm(A), 2hbs(A), 2hhb(A), 2hhd(A), 2hhe(A), 2w6v(A), 2w72(A), 2yrs(A), 3dut(A), 3hhb(A), 3ia3(B), 3kmf(A), 3nmm(A), 3odq(A), 3ovu(C), 3p5q(A), 3qjd(A), 3qje(A), 3s48(D), 3szk(D), 3wcp(A), 3whm(A), 4fc3(A), 4hhb(A), 4ij2(A), 4m4b(A), 4mqh(A), 4mqi(A), 4n7n(A), 4n8t(A), 4rol(A), 4rom(A), 4xs0(A), 5jdo(C), 5kdq(A), 5ksi(A), 5ksj(A), 5me2(A), 5ni1(A), 5vmm(A), 5wog(A), 5woh(A), 6bwp(A), 6hal(A), 6hbw(A), 6kae(A), 6nbc(A), 6nbd(A), 6nq5(A), 6tb2(A), 7jjq(A).


 
2. Ligand: HEM-CMO × 52
HEM=Protoporphyrin IX containing fe, CMO=Carbon monoxide.
PDB codes: 1a9w(A), 1aj9(A), 1bbb(A), 1coh(A), 1hab(A), 1hac(A), 1hco(A), 1ird(A), 1j3z(A), 1k1k(A), 1m9p(A), 1nej(A), 1qsi(A), 1rvw(A), 1sdk(A), 1sdl(A), 1yff(A), 1yvq(A), 1yvt(A), 2dn3(A), 2hco(A), 3hxn(A), 3nl7(A), 3qjb(A), 3qjc(A), 3s65(A), 3s66(A), 4mqc(A), 4mqg(A), 4mqj(A), 4mqk(A), 5e83(A), 5sw7(A), 5u3i(A), 5ufj(A), 6ka9(A), 6kao(A), 6kap(A), 6kaq(A), 6kar(A), 6kas(A), 6kat(A), 6kau(A), 6kav(A), 6kye(A), 6l5v(A), 6l5w(A), 6l5x(A), 6l5y(A), 7jxz(A), 7jy0(A), 7jy1(A).


 
3. Ligand: HEM-OXY × 32
HEM=Protoporphyrin IX containing fe, OXY=Oxygen molecule.
PDB codes: 1b86(A), 1gbv(A), 1gzx(A), 1hgc(A), 1hho(A), 1thb(A), 1y01(B), 1y8w(A), 1ydz(A), 1ye0(A), 1ye2(A), 1yen(A), 1yeo(A), 1yeq(A), 1yeu(A), 1yev(A), 1yg5(A), 1ygf(A), 1yh9(A), 1yhe(A), 1yie(A), 1yih(A), 2dn1(A), 3b75(A), 4wjg(A), 4x0l(A), 5ee4(C), 5hu6(A), 5hy8(A), 6bb5(A), 6hk2(A), 7jy3(A).


 
4. Ligand: CMO-HEM × 15
CMO=Carbon monoxide, HEM=Protoporphyrin IX containing fe.
PDB codes: 1ljw(A), 1mko(A), 1r1x(A), 1yzi(A), 3d17(A), 4ni0(A), 4ni1(A), 5e6e(A), 5urc(A), 6bnr(A), 6bwu(A), 6di4(A), 6xd9(A), 6xdt(A), 6xe7(A).


 
5. Ligand: HNI × 14
Protoporphyrin IX containing ni(ii)
PDB codes: 1fn3(A), 1j40(A), 1j41(A), 1nih(A), 4n7o(A), 4n7p(A), 5x2r(A), 5x2s(A), 5x2t(A), 5x2u(A), 6kah(A), 6kai(A), 6lcw(A), 6lcx(A).


 
6. Ligand: OXY-HEM × 5
OXY=Oxygen molecule, HEM=Protoporphyrin IX containing fe.
PDB codes: 1qxe(A), 1yhr(A), 3ic0(A), 3ic2(A), 3r5i(A).


 
7. Ligand: HEM-_NO × 4
HEM=Protoporphyrin IX containing fe, NO=Nitric oxide.
PDB codes: 1buw(A), 1rps(A), 1rq4(A), 1rqa(A).


 
8. Ligand: CYN-HEM × 3
CYN=Cyanide ion, HEM=Protoporphyrin IX containing fe.
PDB codes: 1nqp(A), 1o1i(A), 1si4(A).


 
9. Ligand: HEC × 2
Heme c
PDB codes: 2h35(A), 2m6z(A).


 
10. Ligand: HEM-NO2 × 2
NO2=Nitrite ion, HEM=Protoporphyrin IX containing fe.
PDB codes: 3d7o(A), 3onz(A).


 
11. Ligand: NTE-NO2 × 2
NTE=[3,3'-{(3s,4s)-13-Ethenyl-3,7,12,17-Tetramethyl-8-[(E)- 2-Nitroethenyl]-3,4-Dihydroporphyrin-2,18-
Diyl- Kappa~4~n~21~,N~22~,N~23~,N~24~}dipropanoato(4-)]Iron, NO2=Nitrite ion.
PDB codes: 3oo4(A), 3oo5(A).


 
12. Ligand: S1P × 2
(2s,3r,4e)-2-Amino-3-Hydroxyoctadec-4-En-1-Yl dihydrogen phosphate
PDB codes: 5ksi(A),


 
13. Ligand: 3R5 × 1
5-Methoxy-2-(Pyridin-3-Ylmethoxy)benzaldehyde
PDB code: 3r5i(A).


 
14. Ligand: CHK × 1
6-[(Cyclohexylacetyl)(2-Hydroxyethyl)amino]-6-Deoxy-D- Xylo-Hexitol
PDB code: 1y01(B).


 
15. Ligand: HEM-ENC × 1
HEM=Protoporphyrin IX containing fe, ENC=Ethyl isocyanide.
PDB code: 2hbc(A).


 
16. Ligand: HEM-H2S × 1
HEM=Protoporphyrin IX containing fe, H2S=Hydrosulfuric acid.
PDB code: 5ucu(A).


 
17. Ligand: HEM-MNC × 1
HEM=Protoporphyrin IX containing fe, MNC=Methyl isocyanide.
PDB code: 2hbd(A).


 
18. Ligand: HEM-NBN × 1
HEM=Protoporphyrin IX containing fe, NBN=N-Butyl isocyanide.
PDB code: 2hbe(A).


 
19. Ligand: HEM-NPN × 1
HEM=Protoporphyrin IX containing fe, NPN=N-Propyl isocyanide.
PDB code: 2hbf(A).


 
20. Ligand: HEM-NSM × 1
HEM=Protoporphyrin IX containing fe, NSM=Nitrosomethane.
PDB code: 4m4a(A).

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 Cluster 2 contains 38 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(A), 4m4b(A), 7jxz(A).


 
2. Ligand: FRU × 1
fructose
Beta-D-Fructofuranose
PDB code: 3b75(A).


 
3. Ligand: MBN × 1
toluene
Toluene
PDB code: 3p5q(A).


 
4. Ligand: MET × 1
methionine
PDB code: 1abw(A).

_Fe
 
5. Metal: _FE × 1
PDB code: 1shr(A).


 
6. Ligand: SO4 × 5
Sulfate ion
PDB codes: 2w6v(A), 2w72(A), 3qje(A), 6hk2(A).


 
7. Ligand: L35 × 4
2-[4-({[(3,5-Dichlorophenyl)amino]carbonyl}amino) phenoxy]-2-Methylpropanoic acid
PDB codes: 2d5z(A), 2d60(A),


 
8. Ligand: RQ3 × 4
2-{4-[(3,5-Dimethylanilino)-Carbonyl-Methyl]-Phenoxy}- 2-Methylpropionic acid
PDB codes: 1g9v(A), 5e29(A),


 
9. 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(A),


 
10. 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(A),


 
11. Ligand: B77 × 3
2-[(2-Methoxy-5-Methylphenoxy)methyl]pyridine
PDB codes: 3ic0(A),


 
12. Ligand: FUX × 3
5-Hydroxymethyl-Furfural
PDB codes: 1qxe(A), 5urc(A).


 
13. Ligand: PO4 × 3
Phosphate ion
PDB codes: 1hho(A), 1rvw(A), 2w72(A).


 
14. Ligand: S1P × 3
(2s,3r,4e)-2-Amino-3-Hydroxyoctadec-4-En-1-Yl dihydrogen phosphate
PDB codes: 5ksi(A), 5ksj(A),


 
15. Ligand: 3R5 × 2
5-Methoxy-2-(Pyridin-3-Ylmethoxy)benzaldehyde
PDB codes: 3r5i(A),


 
16. Ligand: 3U7 × 2
4-{2,3-Dichloro-4-[3-(1h-Imidazol-2-Yl) propanoyl]phenoxy}butanoic acid
PDB codes: 4rol(A),


 
17. Ligand: 3U8 × 2
4-{2-Chloro-4-[3-(1h-Imidazol-2-Yl) propanoyl]phenoxy}butanoic acid
PDB codes: 4rom(A),


 
18. Ligand: 86M × 2
5-[(Imidazo[1,2-A]pyridin-8-Yl)methoxy]-2- Methoxypyridine-4-Carbaldehyde
PDB codes: 5ufj(A),


 
19. Ligand: B78 × 2
4-[(5-Methoxy-2-Methylphenoxy)methyl]pyridine
PDB codes: 3ic2(A),


 
20. 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(A),

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 Cluster 3 contains 1 ligand type

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Ligand Description


 
1. Ligand: HEM-CMO × 1
HEM=Protoporphyrin IX containing fe, CMO=Carbon monoxide.
PDB code: 6kye(A).

 

 Cluster 4 contains 1 ligand type

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Ligand Description


 
1. Ligand: HEM × 9
Protoporphyrin IX containing fe
PDB codes: 1abw(A), 1aby(A), 1c7c(A), 1c7d(A), 1o1j(A), 1o1l(A), 1o1m(A), 1o1n(A), 1o1p(A).

 

 Cluster 5 contains 4 ligand types

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Ligand Description


 
1. Ligand: FRU × 1
fructose
Beta-D-Fructofuranose
PDB code: 5hy8(A).


 
2. Ligand: GOL × 1
glycerin
Glycerol
PDB code: 5e83(A).


 
3. Ligand: PO4 × 1
Phosphate ion
PDB code: 1mko(A).


 
4. Ligand: SO4 × 1
Sulfate ion
PDB code: 6hk2(A).

 

 Cluster 6 contains 2 ligand types

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Ligand Description


 
1. Ligand: GOL × 1
glycerin
Glycerol
PDB code: 4m4a(A).


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

 

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