Ligand clusters for UniProt code P25043

Ligand clusters for P25043: Proteasome subunit beta type-2 from Saccharomyces cerevisiae (strain ATCC 204508 / S288c)

		6 ligand clusters Cluster 1. 90 ligand types 379 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 1 ligand type 1 ligand Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 14 ligands Cluster 6. 1 ligand type 185 ligands
Representative protein: 5fgiH

Structures

PDB		Schematic diagram
5fgiH
5l54H
6hv5H
4y8hH
6hvvH
		more ...

Cluster 1 contains 90 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: 3BV × 49 carfilzomib N-{(2s)-2-[(Morpholin-4-Ylacetyl)amino]-4- Phenylbutanoyl}-L-Leucyl-N-[(2r,3s,4s)-1,3-Dihydroxy- 2,6-Dimethylheptan-4-Yl]-L-Phenylalaninamide PDB codes: 4qw4(H), 4qw5(H), 4qw6(H), 4qw7(H), 4qwf(H), 4qwg(H), 4qwi(H), 4qwj(H), 4qwk(H), 4qwl(H), 4qwr(H), 4qws(H), 5cz8(H), 5cz9(H), 5d0s(H), 5d0v(H), 5d0z(H), 5fgd(H), 5fge(H), 5fgf(H), 5fgg(H), 5fhs(H), 5l5e(H), 5l5y(H), 5l65(H),
_Mg		2. Metal: _MG × 44 PDB codes: 4nnn(H), 4nnw(H), 4no6(H), 4no8(H), 4no9(H), 4qby(H), 4qlq(H), 4qlt(H), 4qlu(H), 4qlv(H), 4quy(H), 4qv0(H), 4qv1(H), 4qv3(H), 4qv4(H), 4qv5(H), 4qv7(H), 4qw1(H), 4qwl(H), 4qwr(H), 4qz6(H), 4qzw(H), 4qzx(H), 4r17(H), 4rur(H), 4x6z(I), 4y70(H), 4y78(H), 4y7w(H), 4y8h(H), 4y8m(H), 4y8r(H), 4y8s(H), 4y9y(H), 4y9z(H), 4ya1(H), 4ya2(H), 4ya7(H), 5cz6(H), 5d0v(H), 5l5a(H), 5l5b(H), 5l5w(H), 6hw6(H).
		3. Ligand: BO2 × 42 bortezomib N-[(1r)-1-(Dihydroxyboryl)-3-Methylbutyl]-N-(Pyrazin-2- Ylcarbonyl)-L-Phenylalaninamide PDB codes: 2f16(H), 3mg0(H), 4qvl(H), 4qvm(H), 4qvn(H), 4qvp(H), 4qvq(H), 4qvv(H), 4qvw(H), 4qvy(H), 4qw0(H), 4qw1(H), 4qw3(H), 4qwu(H), 5bxn(H), 5cz7(H), 5d0x(H), 5l5f(H), 5l5z(H), 5l66(H), 6hwd(H),
		4. Ligand: GOL × 2 glycerin Glycerol PDB codes: 4x6z(I),
__K		5. Metal: __K × 1 PDB code: 4ya9(H).
		6. Ligand: MES × 60 2-(N-Morpholino)-Ethanesulfonic acid PDB codes: 4qlq(H), 4qw4(H), 4qw5(H), 4qw6(H), 4qw7(H), 4qwf(H), 4qws(H), 4qwx(H), 4qxj(H), 4qz0(H), 4qz1(H), 4qz2(H), 4qzx(H), 4y70(H), 4y74(H), 4y78(H), 4y7w(H), 4y7y(H), 4y80(H), 4y8j(H), 4y9z(H), 4ya2(H), 4ya7(H), 4ya9(H), 5cgi(H), 5cz8(H), 5d0s(H), 5d0v(H), 5d0z(H), 5fgd(H), 5fge(H), 5fgf(H), 5fgg(H), 5fhs(H), 5jhs(H), 5l5d(H), 5l5e(H), 5l5j(H), 5l5o(H), 5l5t(H), 5l5x(H), 5l5y(H), 5l60(H), 5l61(H), 5l62(H), 5l63(H), 5l64(H), 5l65(H), 5l68(H), 5l6b(H), 6hv4(H), 6hvv(H), 6hvy(H), 6hw8(H), 6hw9(H), 6hwa(H), 6hwb(H), 6hwc(H), 6hwe(H), 6hwf(H).
		7. Ligand: 04C × 33 1,2,4-Trideoxy-4-Methyl-2-{[N-(Morpholin-4-Ylacetyl)-L- Alanyl-O-Methyl-L-Tyrosyl]amino}-1-Phenyl- D-Xylitol PDB codes: 3un4(H), 4qwx(H), 4qxj(H), 4qz0(H), 4qz1(H), 4qz2(H), 4qz3(H), 4qz4(H), 4qz5(H), 4qz6(H), 4qz7(H), 4qzw(H), 4qzx(H), 5cgi(H), 5l5d(H), 5l5u(H), 5l5x(H), 5l63(H), 5l6b(H).
		8. Ligand: ACE-LEU-ALA-GAU-POL × 10 ACE=Acetyl group, GAU=(4s)-4-Amino-5-Hydroxypentanoic acid, POL=N-Propanol. PDB codes: 4y7w(H), 4y8s(H), 4y9z(H), 4ya2(H), 4ya7(H),
		9. Ligand: ALD × 5 N-[(Benzyloxy)carbonyl]-L-Leucyl-N-[(2s)-1-Hydroxy-4- Methylpentan-2-Yl]-L-Leucinamide PDB codes: 4nnn(H), 5d0t(H), 5fgh(H),
		10. Ligand: ACE-LEU-ALA-ASJ-POL × 4 ACE=Acetyl group, ASJ=(3s)-3-Amino-4-Hydroxybutanoic acid, POL=N-Propanol. PDB codes: 4y78(H), 4ya9(H),
		11. Ligand: ACE-PRO-ALA-GAU-POL × 4 ACE=Acetyl group, GAU=(4s)-4-Amino-5-Hydroxypentanoic acid, POL=N-Propanol. PDB codes: 4y8t(H), 4ya0(H), 4ya3(H), 4ya5(H).
		12. Ligand: 6N5 × 3 ~{N}-[(2~{s})-1-[[(2~{s})-3-(4-Methoxyphenyl)-1- [[(2~{s},3~{s},4~{r})-4-Methyl-3,5-Bis(oxidanyl)- 1- Phenyl-Pentan-2-Yl]amino]-1-Oxidanylidene-Propan-2- Yl]amino]-1-Oxidanylidene-Propan-2-Yl]-1- Methyl-5~{h}- Indene-2-Carboxamide PDB codes: 5l52(H), 5l5j(H), 5l68(H).
		13. Ligand: ACE-PRO-ALA-DCL-POL × 3 ACE=Acetyl group, DCL=2-Amino-4-Methyl-Pentan-1-Ol, POL=N-Propanol. PDB codes: 4y6z(H), 4y8p(H),
		14. Ligand: GQK × 3 (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 codes: 6hv4(H), 6hwf(H),
		15. Ligand: SLA × 3 Omuralide, Open form PDB codes: 3dy4(H), 4qzz(H), 4r00(H).
		16. Ligand: SRG × 3 (2s)-2-[[(2s)-1-[[(5s,8s,9e)-2,7-Dioxo-5-Propan-2-Yl- 1,6-Diazacyclododeca-3,9-Dien-8-Yl]amino]-3- Methyl-1- Oxo-Butan-2-Yl]carbamoylamino]-3-Methyl-Butanoic acid PDB codes: 2zcy(H), 5cz6(H).
		17. Ligand: 2MK × 2 N-[(Benzyloxy)carbonyl]-L-Leucyl-N-[(2r,3s)-1,2- Dihydroxy-5-Methylhexan-3-Yl]-L-Leucinamide PDB codes: 4nnw(H),
		18. Ligand: 3BV-MES × 2 3BV=N-{(2s)-2-[(Morpholin-4-Ylacetyl)amino]-4- Phenylbutanoyl}-L-Leucyl-N-[(2r,3s,4s)-1,3-Dihydroxy- 2,6-Dimethylheptan-4-Yl]-L-Phenylalaninamide, MES=2-(N-Morpholino)-Ethanesulfonic acid. PDB codes: 5cz5(H), 5cz9(H).
		19. Ligand: 5BY × 2 {2-[2-(2-{4-[(1e)-4-{[(2s)-1-{[(1r)-1- (Dihydroxyboranyl)-3-Methylbutyl]amino}-1-Oxo-3- Phenylpropan-2-Yl]amino}-4-Oxobut-1-En-1-Yl]-1h-1,2,3- Triazol-1- Yl}ethoxy)ethoxy]ethoxy}acetic acid PDB codes: 5dkj(H),
		20. Ligand: 5BZ × 2 [(1~{r})-1-[[(2~{s})-2-(Hex-5-Ynoylamino)-3-Phenyl- Propanoyl]amino]-3-Methyl-Butyl]boronic acid PDB codes: 5dki(H),
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Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: 2YD × 1 (5r,6r,7s,8r,9r,12s,13e,16s,18s,19r,20ar)-4,7,19- Trihydroxy-2,6,8,12,14,16,18-Heptamethyl- 6,7,8,9,10, 11,12,15,16,17,18,19,20,20a-Tetradecahydro-1,19:5,9- Diepoxybenzo[18]annulen-3(5h)-One PDB code: 4q1s(H).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4x6z(I).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4x6z(I).

Cluster 5 contains 1 ligand type

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Ligand		Description
_Mg		1. Metal: _MG × 14 PDB codes: 1g65(H), 1jd2(H), 1ryp(I), 3mg4(H), 3mg6(H), 3mg7(H), 3mg8(H), 3oeu(H), 3oev(H), 3sdi(H), 3sdk(H), 4g4s(I), 5bxl(H), 5bxn(H).

Cluster 6 contains 1 ligand type

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Ligand		Description
_Cl		1. Metal: _CL × 185 PDB codes: 4quy(H), 4qv0(H), 4qv1(H), 4qv3(H), 4qv4(H), 4qv5(H), 4qv6(H), 4qv7(H), 4qv8(H), 4qv9(H), 4qvl(H), 4qvm(H), 4qvn(H), 4qvp(H), 4qvq(H), 4qvv(H), 4qvw(H), 4qvy(H), 4qw0(H), 4qw1(H), 4qw3(H), 4qw4(H), 4qw5(H), 4qw6(H), 4qw7(H), 4qwf(H), 4qwg(H), 4qwi(H), 4qwj(H), 4qwk(H), 4qwl(H), 4qwr(H), 4qws(H), 4qwu(H), 4qwx(H), 4qxj(H), 4qz0(H), 4qz1(H), 4qz2(H), 4qz3(H), 4qz4(H), 4qz5(H), 4qz6(H), 4qz7(H), 4qzw(H), 4qzx(H), 4qzz(H), 4r00(H), 4y69(H), 4y6a(H), 4y6z(H), 4y70(H), 4y74(H), 4y75(H), 4y77(H), 4y7w(H), 4y7x(H), 4y7y(H), 4y80(H), 4y81(H), 4y82(H), 4y8g(H), 4y8h(H), 4y8i(H), 4y8j(H), 4y8k(H), 4y8l(H), 4y8m(H), 4y8n(H), 4y8o(H), 4y8p(H), 4y8q(H), 4y8r(H), 4y8u(H), 4y9z(H), 4ya0(H), 4ya1(H), 4ya2(H), 4ya3(H), 4ya4(H), 4ya5(H), 4ya7(H), 4z1l(H), 5ahj(H), 5bou(H), 5bxl(H), 5bxn(H), 5cgf(H), 5cgg(H), 5cgh(H), 5cgi(H), 5cz4(H), 5cz5(H), 5cz6(H), 5cz7(H), 5cz8(H), 5cz9(H), 5cza(H), 5d0s(H), 5d0t(H), 5d0v(H), 5d0x(H), 5d0z(H), 5dki(H), 5dkj(H), 5fg7(H), 5fga(H), 5fgd(H), 5fge(H), 5fgf(H), 5fgg(H), 5fgh(H), 5fgi(H), 5fhs(H), 5jhr(H), 5jhs(H), 5l52(H), 5l54(H), 5l55(H), 5l5a(H), 5l5b(H), 5l5d(H), 5l5e(H), 5l5f(H), 5l5h(H), 5l5i(H), 5l5j(H), 5l5o(H), 5l5p(H), 5l5q(H), 5l5r(H), 5l5s(H), 5l5t(H), 5l5u(H), 5l5v(H), 5l5w(H), 5l5x(H), 5l5y(H), 5l5z(H), 5l60(H), 5l61(H), 5l62(H), 5l63(H), 5l64(H), 5l65(H), 5l66(H), 5l67(H), 5l68(H), 5l69(H), 5l6a(H), 5l6b(H), 5l6c(H), 5ltt(H), 5m2b(H), 6g7f(H), 6g8m(H), 6g8n(H), 6gop(H), 6h39(H), 6hv3(H), 6hv4(H), 6hv5(H), 6hv7(H), 6hva(H), 6hvr(H), 6hvs(H), 6hvt(H), 6hvu(H), 6hvv(H), 6hvw(H), 6hvx(H), 6hvy(H), 6hw0(H), 6hw3(H), 6hw4(H), 6hw5(H), 6hw7(H), 6hw8(H), 6hw9(H), 6hwa(H), 6hwb(H), 6hwc(H), 6hwd(H), 6hwe(H), 6hwf(H).