Ligand clusters for UniProt code P39900

Ligand clusters for P39900: Macrophage metalloelastase from Homo sapiens

		Top 6 (of 31) ligand clusters Cluster 1. 77 ligand types 209 ligands Cluster 2. 5 ligand types 7 ligands Cluster 3. 4 ligand types 9 ligands Cluster 4. 4 ligand types 7 ligands Cluster 5. 4 ligand types 7 ligands Cluster 6. 3 ligand types 3 ligands
Representative protein: 3ba0A

Structures

PDB		Schematic diagram
3ba0A
2k2gA
2pojA
1z3jA
5i0lA
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Cluster 1 contains 77 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
_Zn		1. Metal: _ZN × 76 PDB codes: 1jiz(A), 1jk3(A), 1os2(A), 1os9(A), 1ros(A), 1utt(A), 1utz(A), 1y93(A), 1z3j(A), 2hu6(A), 2n8r(A), 2oxu(A), 2oxw(A), 2oxz(A), 2w0d(A), 2wo8(A), 2wo9(A), 2woa(A), 2z2d(A), 3ba0(A), 3ehx(A), 3ehy(A), 3f15(A), 3f16(A), 3f17(A), 3f18(A), 3f19(A), 3f1a(A), 3lik(A), 3lil(A), 3lir(A), 3ljg(A), 3lk8(A), 3lka(A), 3n2u(A), 3n2v(A), 3nx7(A), 3rts(A), 3rtt(A), 3ts4(A), 3tsk(A), 3uvc(A), 4efs(A), 4gql(A), 4gr0(A), 4gr3(A), 4gr8(A), 4guy(A), 4h30(A), 4h49(A), 4h76(A), 4h84(A), 4i03(A), 4ijo(A), 5cxa(A), 5czm(A), 5d2b(A), 5d3c(A), 5i0l(A), 5i2z(A), 5i3m(A), 5i43(A), 5i4o(A), 5l79(A), 5l7f(A), 5lab(A), 5n5j(A), 5n5k(A), 6ekn(A), 6ela(A), 6enm(A), 6eox(A), 6rd0(A), 6rly(A).
		2. Ligand: HAE × 14 acetohydroxamic acid Acetohydroxamic acid PDB codes: 1os2(A), 1utt(A), 1utz(A), 1y93(A), 2hu6(A), 3ba0(A), 3lik(A), 3lil(A), 3ljg(A), 3lka(A), 5n5j(A), 5n5k(A), 6rd0(A), 6rly(A).
		3. Ligand: GOL × 5 glycerin Glycerol PDB codes: 3ts4(A), 4h30(A), 4i03(A).
		4. Ligand: DMS × 3 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 4i03(A), 5i3m(A).
		5. Ligand: GLY × 1 glycine PDB code: 3lir(A).
		6. Ligand: PGO × 9 S-1,2-Propanediol PDB codes: 4efs(A), 4h76(A), 4h84(A), 4i03(A), 5i0l(A).
		7. Ligand: EDO × 7 1,2-Ethanediol PDB codes: 3uvc(A), 4efs(A), 4i03(A), 5i43(A), 5l7f(A),
		8. Ligand: IMD × 4 Imidazole PDB codes: 3uvc(A), 4efs(A), 4gr8(A).
		9. Ligand: PEG × 4 Di(hydroxyethyl)ether PDB codes: 4h30(A), 4h49(A), 4h76(A), 4h84(A).
		10. Ligand: ACT × 3 Acetate ion PDB codes: 2w0d(A),
		11. Ligand: CGS × 3 N-Hydroxy-2(r)-[[(4-Methoxyphenyl)sulfonyl](3- Picolyl)amino]-3-Methylbutanamide hydrochloride PDB codes: 1jiz(A), 2w0d(A),
		12. Ligand: NGH × 3 N-Isobutyl-N-[4-Methoxyphenylsulfonyl]glycyl hydroxamic acid PDB codes: 1ycm(A), 1z3j(A), 5lab(A).
		13. Ligand: PF3 × 3 (2r)-3-({[4-[(Pyridin-4-Yl)phenyl]-Thien-2- Yl}carboxamido)(phenyl)propanoic acid PDB codes: 1utz(A),
		14. Ligand: R47 × 3 N-[(2s)-3-[(S)-(4-Bromophenyl)(hydroxy)phosphoryl]-2- {[3-(3'-Chlorobiphenyl-4-Yl)-1,2-Oxazol-5- Yl]methyl}propanoyl]-L-Alpha-Glutamyl-L-Alpha- Glutamine PDB codes: 4gql(A), 5czm(A), 5l7f(A).
		15. Ligand: 56O × 2 N-[(2r)-2-{[3-(3'-Chlorobiphenyl-4-Yl)-1,2-Oxazol-5- Yl]methyl}-4-(Hydroxyamino)-4-Oxobutanoyl]-L- Alpha- Glutamyl-L-Alpha-Glutamine PDB codes: 5d2b(A), 5d3c(A).
		16. Ligand: EEG × 2 N-{3-[4-(4-Phenylthiophen-2-Yl)phenyl]propanoyl}-L- Alpha-Glutamyl-L-Alpha-Glutamyl-Amide PDB codes: 3lik(A), 3ts4(A).
		17. Ligand: H27 × 2 (2r)-2-[{(E)-2-[({(2r,3r,4r,5s,6r)-3-(Acetylamino)-4,5- Bis(acetyloxy)-6- [(Acetyloxy)methyl]tetrahydro-2h- Pyran-2-Yl}carbamothioyl)amino]ethenyl}(biphenyl-4- Ylsulfonyl)amino]-3-Methylbutanoic acid PDB codes: 5i0l(A),
		18. Ligand: ILE-ALA-GLY × 2 PDB codes: 2oxw(A), 2oxz(A).
		19. Ligand: P6G × 2 Hexaethylene glycol PDB codes: 3lik(A), 3ljg(A).
		20. Ligand: PGR × 2 R-1,2-Propanediol PDB codes: 4efs(A), 4h84(A).
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Cluster 2 contains 5 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 4efs(A), 4h30(A).
		2. Ligand: PGO × 2 S-1,2-Propanediol PDB codes: 5i2z(A), 5i3m(A).
		3. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5i43(A).
		4. Ligand: IMD × 1 Imidazole PDB code: 3ts4(A).
		5. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 4h84(A).

Cluster 3 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 4 glycerin Glycerol PDB codes: 4h30(A), 4h76(A), 4h84(A),
		2. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 5i43(A), 5l79(A).
		3. Ligand: P6G × 2 Hexaethylene glycol PDB codes: 3lik(A), 3ljg(A).
		4. Ligand: PGO × 1 S-1,2-Propanediol PDB code: 4efs(A).

Cluster 4 contains 4 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 4h49(A).
		2. Ligand: EDO × 4 1,2-Ethanediol PDB codes: 4i03(A), 5i43(A),
		3. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 4h76(A).
		4. Ligand: PGO × 1 S-1,2-Propanediol PDB code: 4h49(A).

Cluster 5 contains 4 ligand types

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Ligand		Description
		1. Ligand: EDO × 4 1,2-Ethanediol PDB codes: 4efs(A), 5i43(A), 5l7f(A), 6ekn(A).
		2. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 4h49(A).
		3. Ligand: PGO × 1 S-1,2-Propanediol PDB code: 4h49(A).
_Cl		4. Metal: _CL × 1 PDB code: 3uvc(A).

Cluster 6 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4h30(A).
		2. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 4i03(A).
_Ca		3. Metal: _CA × 1 PDB code: 3uvc(A).