Ligand clusters for UniProt code P0AD64

Ligand clusters for P0AD64: Beta-lactamase SHV-1 OS=Klebsiella pneumoniae GN=bla PE=1 SV=1

		5 ligand clusters Cluster 1. 36 ligand types 123 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 1 ligand type 1 ligand Cluster 4. 1 ligand type 2 ligands Cluster 5. 1 ligand type 2 ligands
Representative protein: 1ongA

Structures

PDB		Schematic diagram
1ongA
3ophA
4gd8A
1shvA
4fcfA
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Cluster 1 contains 36 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: TAZ × 1 tazobactam Tazobactam PDB code: 1vm1(A).
		2. Ligand: TSL × 1 Trans-Enamine intermediate of sulbactam PDB code: 2a3u(A).
		3. Ligand: WY2 × 1 (6,7-Dihydro-5h-Cyclopenta[d]imidazo[2,1-B]thiazol-2- Yl]-4,7-Dihydro[1,4]thiazepine-3,6- Dicarboxylic acid PDB code: 1q2p(A).
		4. Ligand: WY4 × 1 7-(5,6-Dihydro-8h-Imidazo[2,1-C][1,4]oxazin-2-Yl)-6- Formyl-2,7-Dihydro- [1,4]thiazepine-3- Carboxylic acid PDB code: 1ong(A).
		5. Ligand: EPE × 3 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB codes: 1tdl(A), 2a3u(A), 2a49(A).
		6. Ligand: TBE × 1 Tazobactam intermediate PDB code: 1tdg(A).
		7. Ligand: TBI × 1 Tazobactam trans-Enamine intermediate PDB code: 1rcj(A).
		8. Ligand: SA2 × 1 (3r)-4-[(4-Carboxybutanoyl)oxy]-N-[(1e)-3-Oxoprop-1- En-1-Yl]-3-Sulfino-D-Valine PDB code: 2h5s(A).
		9. Ligand: MRD × 1 (4r)-2-Methylpentane-2,4-Diol PDB code: 1tdg(A).
		10. Ligand: MDD × 1 Malonaldehyde PDB code: 1tdg(A).
		11. Ligand: TEM × 1 N-(2-Hydroxy-4-Oxo-Butyl)-N-(3-Oxo-Transpropenyl)amine PDB code: 2a49(A).
		12. Ligand: MA4 × 77 Cyclohexyl-Hexyl-Beta-D-Maltoside PDB codes: 1ong(A), 1q2p(A), 1rcj(A), 1shv(A), 1tdg(A), 1tdl(A), 2a3u(A), 2a49(A), 2h5s(A), 1vm1(A), 2h0t(A), 2h0y(A), 2h10(A), 2zd8(A), 3d4f(A), 3mke(A), 3mkf(A), 3mxr(A), 3mxs(A), 3oph(A), 3opl(A), 3opp(A), 3opr(A), 3v50(A), 3v5m(A), 4fcf(A), 4fd8(A), 4fh2(A), 4fh4(A), 4gd6(A), 4gd8(A), 4gdb(A), 4jpm(A), 4mbf(A), 4mbh(A), 4mbk(A), 4r3b(A), 4zam(A), 5ee8(A),
		13. Ligand: EPE × 5 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB codes: 2h0t(A), 3oph(A), 3opl(A), 4gdb(A), 4mbh(A).
		14. Ligand: SA2 × 4 (3r)-4-[(4-Carboxybutanoyl)oxy]-N-[(1e)-3-Oxoprop-1-En- 1-Yl]-3-Sulfino-D-Valine PDB codes: 3opp(A), 3opr(A), 3v50(A), 4mbk(A).
		15. Ligand: TBE × 2 Tazobactam intermediate PDB codes: 1vm1(A), 2h10(A).
		16. Ligand: 2AW × 2 6-({(2r,3s)-3-Carboxy-2-Methyl-3-[(3-Oxopropyl)amino]- 2-Sulfinopropyl}oxy)-6-Oxohexanoic acid PDB codes: 4mbf(A),
		17. Ligand: TEM × 1 N-(2-Hydroxy-4-Oxo-Butyl)-N-(3-Oxo-Transpropenyl)amine PDB code: 2h0t(A).
		18. Ligand: TSL × 1 Trans-Enamine intermediate of sulbactam PDB code: 2h0y(A).
		19. Ligand: 0RJ × 1 3-(Formylamino)-L-Alanine PDB code: 4mbh(A).
		20. Ligand: 0RN × 1 Sulbactam PDB code: 4fh2(A).
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Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: CZ6 × 1 2-({[(1z)-1-(2-Amino-3h-1,3-Thiazol-1-Ium-4-Yl)-2-Oxo- 2-({[(6s)-4,4,6-Trimethyl-1,3,2- Dioxaborinan-2- Yl]methyl}amino)ethylidene]amino}oxy)-2- Methylpropanoate PDB code: 3mke(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 1tdg(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 2 Sulfate ion PDB codes: 3c4o(A), 3c4p(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 2 Sulfate ion PDB codes: 3c4o(A), 3c4p(A).