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Ligand clusters for UniProt code Q99436

Ligand clusters for Q99436: Proteasome subunit beta type-7 from Homo sapiens

Top 6 (of 7) ligand clusters


Cluster 1. 17 ligand types 28 ligands		Cluster 2. 8 ligand types 8 ligands		Cluster 3. 1 ligand type 10 ligands		Cluster 4. 1 ligand type 10 ligands		Cluster 5. 1 ligand type 10 ligands		Cluster 6. 1 ligand type 10 ligands

Representative protein: 5le5H

Structures

PDB		Schematic diagram

5le5H
5lf7H
5lf4H
5lf3H
5lezH
		more ...

Cluster 1 contains 17 ligand types

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Ligand

Description

1. Ligand: 6V8 × 1

ixazomib

[(1~{r})-1-[2-[[2,5-Bis(chloranyl) phenyl]carbonylamino]ethanoylamino]-3-Methyl-
Butyl]boronic acid

PDB code: 5lf7(H).

2. Ligand: BO2 × 1

bortezomib

N-[(1r)-1-(Dihydroxyboryl)-3-Methylbutyl]-N-(Pyrazin-2- Ylcarbonyl)-L-Phenylalaninamide

PDB code: 5lf3(H).

3. Ligand: 1PE × 9

Pentaethylene glycol

PDB codes: 5le5(H), 5lex(H), 5ley(H), 5lf0(H), 5lf1(H), 5lf3(H), 5lf4(H), 5lf6(H), 5lf7(H).

_Cl

4. Metal: _CL × 3

PDB codes: 5le5(H), 5lf4(H), 5lf6(H).

5. Ligand: MES × 2

2-(N-Morpholino)-Ethanesulfonic acid

PDB codes: 6htc(H), 6huv(H).

6. Ligand: 6VC × 1

~{N}-[(2~{s})-1-[[(2~{s},3~{r},4~{s})-2,6-Dimethyl-1,2, 3-Tris(oxidanyl)heptan-4-Yl]amino]-3-
Oxidanyl-1- Oxidanylidene-Propan-2-Yl]-6-Methyl-Heptanamide

PDB code: 5lf1(H).

7. Ligand: ACE-IML-ILE-THR-6VO × 1

ACE=Acetyl group, IML=N-Methyl-Isoleucine, 6VO=(3~{r},4~{s})-4-Azanyl-2,6-Dimethyl-Heptane-2,3-Diol.

PDB code: 5lf0(H).

8. Ligand: GQH × 1

(2~{s})-~{N}-[(2~{s})-1-[[(2~{s})-1-[4-(Aminomethyl) phenyl]-4-Methylsulfonyl-Butan-2-Yl]amino]-1-
Oxidanylidene-Propan-2-Yl]-2-[[(2~{s})-2-Azido-3- Phenyl-Propanoyl]amino]-4-Methyl-Pentanamide

PDB code: 6htd(H).

9. Ligand: GQK × 1

(2~{s})-3-(4-Methoxyphenyl)-~{N}-[(2~{s},3~{r})-4- Methyl-3,4-Bis(oxidanyl)-1-Phenyl-Pentan-2-Yl]-
2- [[(2~{s})-2-(2-Morpholin-4-Ylethanoylamino) propanoyl]amino]propanamide

PDB code: 6htc(H).

10. Ligand: GQQ × 1

~{N}-[(2~{s})-1-[[(2~{s})-1-[[(2~{s})-1-[4- (Aminomethyl)phenyl]-4-Methylsulfonyl-Butan-2-
Yl]amino]-4-Methyl-1-Oxidanylidene-Pentan-2-Yl]amino]- 4-Methyl-1-Oxidanylidene-Pentan-2-
Yl]pyrazine-2- Carboxamide

PDB code: 6htp(H).

11. Ligand: GQT × 1

(2~{s})-~{N}-[(2~{s})-1-[[(2~{s})-1-[4-(Aminomethyl) phenyl]-4-Methylsulfonyl-Butan-2-Yl]amino]-3-
Oxidanyl- 1-Oxidanylidene-Propan-2-Yl]-2-[[(2~{s})-2-Azido-3- Phenyl-Propanoyl]amino]-4-Methyl-
Pentanamide

PDB code: 6htr(H).

12. Ligand: GRT × 1

(2~{s})-~{N}-[2-[[(2~{s})-1-[4-(Aminomethyl)phenyl]-4- Methylsulfonyl-Butan-2-Yl]amino]-2-
Oxidanylidene- Ethyl]-2-[[(2~{s})-2-Azido-3-Phenyl-Propanoyl]amino]- 4-Methyl-Pentanamide

PDB code: 6huc(H).

13. Ligand: GRW × 1

(2~{s})-~{N}-[(2~{s},3~{r})-1-[[(2~{s})-1-[4- (Aminomethyl)phenyl]-4-Methylsulfonyl-Butan-2-
Yl]amino]-3-Oxidanyl-1-Oxidanylidene-Butan-2-Yl]-2- [[(2~{r})-2-Azido-3-Phenyl-Propanoyl]amino]-
4-Methyl- Pentanamide

PDB code: 6hub(H).

14. Ligand: GT5 × 1

~{N}-[(2~{s})-1-[[(2~{s})-1-[[(2~{s})-1-[4- (Aminomethyl)phenyl]-4-Methylsulfonyl-Butan-2-
Yl]amino]-3-Methoxy-1-Oxidanylidene-Propan-2- Yl]amino]-4-Methyl-1-Oxidanylidene-Pentan-2-Yl]-2-
Methyl-1,3-Thiazole-5-Carboxamide

PDB code: 6huq(H).

15. Ligand: GT8 × 1

(2~{s})-~{N}-[(3~{s},4~{r})-1-Cyclohexyl-5-Methyl-4,5- Bis(oxidanyl)hexan-3-Yl]-3-(4-
Methoxyphenyl)-2- [[(2~{s})-2-(2-Morpholin-4-Ylethanoylamino) propanoyl]amino]propanamide

PDB code: 6huv(H).

16. Ligand: GTW × 1

~{N}-[(2~{s})-1-[[(2~{s})-1-[[(2~{s})-1-[4- (Aminomethyl)phenyl]-4-Methylsulfonyl-Butan-2-
Yl]amino]-3-Cyclohexyl-1-Oxidanylidene-Propan-2- Yl]amino]-4-Methyl-1-Oxidanylidene-Pentan-2-Yl]-
2- Methyl-1,3-Thiazole-5-Carboxamide

PDB code: 6huu(H).

17. Ligand: KNM × 1

Ada-(Ahx)3-(Leu)3-Vinyl sulfone

PDB code: 5a0q(I).

Cluster 2 contains 8 ligand types

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Ligand

Description

1. Ligand: 6V8 × 1

ixazomib

[(1~{r})-1-[2-[[2,5-Bis(chloranyl) phenyl]carbonylamino]ethanoylamino]-3-Methyl-
Butyl]boronic acid

PDB code: 5lf7(H).

2. Ligand: BO2 × 1

bortezomib

N-[(1r)-1-(Dihydroxyboryl)-3-Methylbutyl]-N-(Pyrazin-2- Ylcarbonyl)-L-Phenylalaninamide

PDB code: 5lf3(H).

3. Ligand: 6V7 × 1

[(1~{r})-3-Methyl-1-[[(2~{s},3~{s})-3-Oxidanyl-2-[(6- Phenylpyridin-2-
Yl) carbonylamino]butanoyl]amino]butyl]boronic acid

PDB code: 5lf4(H).

4. Ligand: 6V9-OAS-OAS-6VA × 1

6V9=2-Methyl-1,3-Thiazole-5-Carboxylic acid, OAS=O-Acetylserine, 6VA=(3~{r},4~{s})-4-Azanyl-2-Methyl-5-Phenyl-Pentane-2,3- Diol.

PDB code: 5lez(H).

5. Ligand: 6VC × 1

~{N}-[(2~{s})-1-[[(2~{s},3~{r},4~{s})-2,6-Dimethyl-1,2, 3-Tris(oxidanyl)heptan-4-Yl]amino]-3-
Oxidanyl-1- Oxidanylidene-Propan-2-Yl]-6-Methyl-Heptanamide

PDB code: 5lf1(H).

6. Ligand: ACE-IML-ILE-THR-6VO × 1

ACE=Acetyl group, IML=N-Methyl-Isoleucine, 6VO=(3~{r},4~{s})-4-Azanyl-2,6-Dimethyl-Heptane-2,3-Diol.

PDB code: 5lf0(H).

7. Ligand: GQK × 1

(2~{s})-3-(4-Methoxyphenyl)-~{N}-[(2~{s},3~{r})-4- Methyl-3,4-Bis(oxidanyl)-1-Phenyl-Pentan-2-Yl]-
2- [[(2~{s})-2-(2-Morpholin-4-Ylethanoylamino) propanoyl]amino]propanamide

PDB code: 6htc(H).

8. Ligand: KNM × 1

Ada-(Ahx)3-(Leu)3-Vinyl sulfone

PDB code: 5a0q(I).

Ligand clusters for UniProt code Q99436

Ligand clusters for Q99436: Proteasome subunit beta type-7 from Homo sapiens

Structures

Cluster 1 contains 17 ligand types

Cluster 2 contains 8 ligand types

Cluster 3 contains 1 ligand type

Cluster 4 contains 1 ligand type

Cluster 5 contains 1 ligand type

Cluster 6 contains 1 ligand type