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Ligand clusters for UniProt code P69905

Ligand clusters for P69905: Hemoglobin subunit alpha OS=Homo sapiens GN=HBA1 PE=1 SV=2

Top 6 (of 14) ligand clusters
Cluster 1.
25 ligand types
222 ligands
Cluster 2.
18 ligand types
37 ligands
Cluster 3.
1 ligand type
9 ligands
Cluster 4.
1 ligand type
2 ligands
Cluster 5.
2 ligand types
4 ligands
Cluster 6.
1 ligand type
13 ligands
Representative protein: 1c7dA  
 

Structures

PDB   Schematic diagram
1c7dA    
1o1lA    
1o1mA    
1o1jA    
1o1pA    
 more ...

 

 Cluster 1 contains 25 ligand types (of which only 20 are listed. Click for all)

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Ligand Description


 
1. Ligand: HEM × 127
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), 4fc3(A), 4hhb(A), 4ij2(A), 4m4b(A), 4n7n(A), 6hbw(A).


 
2. Ligand: HEM-CMO × 28
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), 4mqk(A).


 
3. Ligand: HEM-OXY × 24
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).


 
4. Ligand: CMO-HEM × 6
CMO=Carbon monoxide, HEM=Protoporphyrin IX containing fe.
PDB codes: 1ljw(A), 1mko(A), 1r1x(A), 1yzi(A), 3d17(A), 4ni0(A).


 
5. Ligand: HNI × 6
Protoporphyrin IX containing ni(ii)
PDB codes: 1fn3(A), 1j40(A), 1j41(A), 1nih(A), 4n7o(A), 4n7p(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 × 2
CYN=Cyanide ion, HEM=Protoporphyrin IX containing fe.
PDB codes: 1nqp(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: 3R5 × 1
5-Methoxy-2-(Pyridin-3-Ylmethoxy)benzaldehyde
PDB code: 3r5i(A).


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


 
14. Ligand: HEM-CYN × 1
CYN=Cyanide ion, HEM=Protoporphyrin IX containing fe.
PDB code: 1o1i(A).


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


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


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


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


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


 
20. Ligand: HEM-__O × 1
HEM=Protoporphyrin IX containing fe, O=Oxygen atom.
PDB code: 1cls(A).

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 Cluster 2 contains 18 ligand types

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Ligand Description


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


 
2. Ligand: SO4 × 4
Sulfate ion
PDB codes: 2w6v(A), 2w72(A), 3qje(A).


 
3. 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),


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


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


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


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


 
8. 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),


 
9. Ligand: FU2 × 2
Furfural
PDB codes: 1qxd(A),


 
10. Ligand: FUX × 2
5-Hydroxymethyl-Furfural
PDB codes: 1qxe(A),


 
11. Ligand: GOL × 2
Glycerol
PDB codes: 1yvt(A), 4m4b(A).


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


 
13. Ligand: FRU × 1
Fructose
PDB code: 3b75(A).


 
14. Ligand: LEU × 1
PDB code: 1abw(A).


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


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


 
17. Ligand: MET-LEU × 1
PDB code: 1abw(A).

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

 

 Cluster 3 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 4 contains 1 ligand type

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Ligand Description


 
1. Ligand: HEM × 2
Protoporphyrin IX containing fe
PDB codes: 1z8u(B), 3ia3(B).

 

 Cluster 5 contains 2 ligand types

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Ligand Description


 
1. Ligand: SO4 × 3
Sulfate ion
PDB codes: 1qxd(A), 1qxe(A), 2w6v(A).


 
2. Ligand: PO4 × 1
Phosphate ion
PDB code: 4ni0(A).

 

 Cluster 6 contains 1 ligand type

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Ligand Description


 
1. Ligand: MBN × 13
Toluene
PDB codes: 1r1x(A), 1yzi(A), 2dn1(A), 3d17(A), 3d7o(A), 3onz(A), 3p5q(A), 4ni0(A),

 

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