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Ligand clusters for UniProt code P00800

Ligand clusters for P00800: Thermolysin OS=Bacillus thermoproteolyticus GN=npr PE=1 SV=3

Top 6 (of 33) ligand clusters
Cluster 1.
87 ligand types
325 ligands
Cluster 2.
4 ligand types
5 ligands
Cluster 3.
5 ligand types
24 ligands
Cluster 4.
4 ligand types
11 ligands
Cluster 5.
1 ligand type
1 ligand
Cluster 6.
4 ligand types
4 ligands
Representative protein: 1fj3A  
 

Structures

PDB   Schematic diagram
1fj3A    
3do1A    
1gxwA    
3t2jE    
4n66E    
 more ...

 

 Cluster 1 contains 87 ligand types (of which only 20 are listed. Click for all)

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Ligand Description

_Zn
 
1. Metal: _ZN × 117
PDB codes: 1fj3(A), 1fjo(A), 1fjq(A), 1fjt(A), 1fju(A), 1fjv(A), 1fjw(A), 1gxw(A), 1hyt(A), 1kei(A), 1kjo(A), 1kjp(A), 1kkk(A), 1kl6(A), 1kr6(A), 1kro(A), 1ks7(A), 1kto(A), 1l3f(E), 1lnd(E), 1lnf(E), 1os0(A), 1pe5(A), 1pe7(A), 1pe8(A), 1qf0(A), 1qf1(A), 1qf2(A), 1thl(A), 1tli(A), 1tlp(E), 1tlx(A), 1tmn(E), 1y3g(E), 1z9g(E), 1zdp(E), 2a7g(E), 2g4z(A), 2tli(A), 2tlx(A), 2tmn(E), 2whz(A), 2wi0(A), 3dnz(A), 3do0(A), 3do1(A), 3do2(A), 3f28(A), 3f2p(A), 3fcq(A), 3fgd(A), 3flf(A), 3for(A), 3fv4(A), 3fvp(A), 3fxp(A), 3ls7(A), 3ms3(A), 3msa(A), 3msf(A), 3msn(A), 3n21(A), 3nn7(A), 3p7p(E), 3p7q(E), 3p7r(E), 3p7s(E), 3p7t(E), 3p7u(E), 3p7v(E), 3p7w(E), 3qgo(A), 3qh1(A), 3qh5(A), 3ssb(A), 3t2h(E), 3t2i(E), 3t2j(E), 3t73(A), 3t74(A), 3t87(A), 3t8c(A), 3t8d(A), 3t8f(A), 3t8g(A), 3t8h(A), 3tli(A), 3tmn(E), 3zi6(A), 4d91(A), 4d9w(A), 4h57(A), 4mtw(E), 4mwp(E), 4mxj(E), 4mzn(E), 4n4e(E), 4n5p(E), 4n66(E), 4oi5(E), 4ow3(A), 4tli(A), 4tln(A), 4tmn(E), 4tnl(A), 5tli(A), 5tln(A), 5tmn(E), 6tli(A), 6tmn(E), 7tli(A), 7tln(A), 8tli(A), 8tln(E).


 
2. Ligand: DMS × 25
dimethyl sulfoxide
Dimethyl sulfoxide
PDB codes: 1qf0(A), 1qf1(A), 1qf2(A), 1y3g(E), 3fgd(A), 3fv4(A), 3fvp(A), 3t73(A), 3t74(A), 3t87(A), 3t8c(A), 3t8d(A), 3t8f(A), 3t8g(A), 3t8h(A), 4d91(A), 4d9w(A), 4h57(A), 4mtw(E), 4mwp(E), 4mxj(E), 4mzn(E), 4n4e(E), 4n5p(E), 4n66(E).


 
3. Ligand: ACT × 1
acetic acid
Acetate ion
PDB code: 4d91(A).


 
4. Ligand: GOL × 49
Glycerol
PDB codes: 3flf(A), 3fv4(A), 3fvp(A), 3ls7(A), 3ms3(A), 3msa(A), 3msf(A), 3ssb(A), 3t73(A), 3t74(A), 3t87(A), 3t8c(A), 3t8d(A), 3t8f(A), 3t8g(A), 3t8h(A), 4d9w(A), 4h57(A), 4mtw(E), 4mwp(E), 4mxj(E), 4mzn(E), 4n4e(E), 4n5p(E), 4n66(E),


 
5. Ligand: VAL-LYS × 18
PDB codes: 1fjt(A), 1gxw(A), 1kei(A), 1lna(E), 1lnb(E), 1lnc(E), 1lnd(E), 1lne(E), 1lnf(E), 1tlx(A), 2tlx(A), 3dnz(A), 3do0(A), 3do1(A), 3do2(A), 3ls7(A), 3zi6(A), 8tln(E).


 
6. Ligand: IPA × 16
Isopropyl alcohol
PDB codes: 2tli(A), 3msa(A), 3tli(A), 4tli(A), 5tli(A), 6tli(A), 7tli(A), 8tli(A),


 
7. Ligand: 0A9 × 5
Methyl l-Phenylalaninate
PDB codes: 3qgo(A), 3qh5(A),


 
8. Ligand: ACN × 4
Acetone
PDB codes: 1fj3(A), 1fjo(A), 1fjq(A),


 
9. Ligand: PEG × 3
Di(hydroxyethyl)ether
PDB codes: 2whz(A), 2wi0(A), 3qh5(A).

_Cl
 
10. Metal: _CL × 3
PDB codes: 2g4z(A), 3t2h(E), 3t2i(E).

_Na
 
11. Metal: _NA × 3
PDB codes: 3t2h(E), 3t2i(E), 3t2j(E).


 
12. Ligand: 0PJ × 2
N-[(S)-({[(Benzyloxy)carbonyl]amino}methyl)(hydroxy) phosphoryl]-L-Leucyl-L-Leucine
PDB codes: 4h57(A), 5tmn(E).


 
13. Ligand: 2G6 × 2
P-((((Benzyloxy)carbonyl)amino)methyl)-N-((S)-1-((3,3- Dimethylbutyl)amino)-4-Methyl-1-Oxopentan-2-
Yl) phosphonamidic acid
PDB codes: 4n4e(E), 4oi5(E).


 
14. Ligand: BET × 2
Trimethyl glycine
PDB codes: 3t2j(E),


 
15. Ligand: NX6 × 2
N-[(Benzyloxy)carbonyl]-L-Aspartic acid
PDB codes: 3qh1(A), 3qh5(A).

_Cd
 
16. Metal: _CD × 2
PDB codes: 1lne(E),


 
17. Ligand: 0DB × 1
N-({1-[(2s)-2-Carboxy-4- Phenylbutyl]cyclopentyl}carbonyl)-L-Tryptophan
PDB code: 1thl(A).


 
18. Ligand: 0FA × 1
N~2~-Phosphono-L-Leucinamide
PDB code: 2tmn(E).


 
19. Ligand: 0PI × 1
N-[(2r,4s)-4-Hydroxy-2-(2-Methylpropyl)-4-Oxido-7-Oxo- 9-Phenyl-3,8-Dioxa-6-Aza-4-Phosphanonan-1-
Oyl]-L- Leucine
PDB code: 6tmn(E).


 
20. Ligand: 0PK × 1
N-[(S)-[(1r)-1-{[(Benzyloxy)carbonyl]amino}-2- Phenylethyl](hydroxy)phosphoryl]-L-Leucyl-L-Alanine
PDB code: 4tmn(E).

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 Cluster 2 contains 4 ligand types

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Ligand Description


 
1. Ligand: DMS × 2
dimethyl sulfoxide
Dimethyl sulfoxide
PDB codes: 3t73(A), 4h57(A).


 
2. Ligand: P6G × 1
Hexaethylene glycol
PDB code: 3qgo(A).


 
3. Ligand: PG4 × 1
Tetraethylene glycol
PDB code: 3qh5(A).

_Cl
 
4. Metal: _CL × 1
PDB code: 2g4z(A).

 

 Cluster 3 contains 5 ligand types

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Ligand Description


 
1. Ligand: DMS × 20
dimethyl sulfoxide
Dimethyl sulfoxide
PDB codes: 3qgo(A), 3t73(A), 3t74(A), 3t87(A), 3t8c(A), 3t8d(A), 3t8f(A), 3t8g(A), 3t8h(A), 4d91(A), 4d9w(A), 4h57(A), 4mtw(E), 4mwp(E), 4mxj(E), 4mzn(E), 4n4e(E), 4n5p(E), 4n66(E), 4oi5(E).


 
2. Ligand: GOL × 1
Glycerol
PDB code: 3msf(A).


 
3. Ligand: IPA × 1
Isopropyl alcohol
PDB code: 3ms3(A).


 
4. Ligand: PEG × 1
Di(hydroxyethyl)ether
PDB code: 3qh5(A).


 
5. Ligand: SO4 × 1
Sulfate ion
PDB code: 2g4z(A).

 

 Cluster 4 contains 4 ligand types

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Ligand Description


 
1. Ligand: IPA × 6
Isopropyl alcohol
PDB codes: 3tli(A), 4tli(A), 5tli(A), 6tli(A), 7tli(A), 8tli(A).


 
2. Ligand: ACN × 3
Acetone
PDB codes: 1fj3(A), 1fjo(A), 1fjq(A).


 
3. Ligand: B3R × 1
3-Bromophenol
PDB code: 3msa(A).


 
4. Ligand: IPH × 1
Phenol
PDB code: 1fjw(A).

 

 Cluster 5 contains 1 ligand type

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Ligand Description


 
1. Ligand: P6G × 1
Hexaethylene glycol
PDB code: 3qgo(A).

 

 Cluster 6 contains 4 ligand types

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Ligand Description


 
1. Ligand: BET × 1
Trimethyl glycine
PDB code: 3t2j(E).


 
2. Ligand: IPA × 1
Isopropyl alcohol
PDB code: 7tli(A).


 
3. Ligand: TMO × 1
Trimethylamine oxide
PDB code: 3t2h(E).

_Cl
 
4. Metal: _CL × 1
PDB code: 3t2h(E).

 

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