Ligand clusters for UniProt code P14489

Ligand clusters for P14489: Beta-lactamase OXA-10 from Pseudomonas aeruginosa

		Top 6 (of 30) ligand clusters Cluster 1. 20 ligand types 55 ligands Cluster 2. 4 ligand types 19 ligands Cluster 3. 4 ligand types 6 ligands Cluster 4. 4 ligand types 13 ligands Cluster 5. 4 ligand types 15 ligands Cluster 6. 2 ligand types 2 ligands
Representative protein: 2rl3A

Structures

PDB		Schematic diagram
2rl3A
5moxA
1fofA
1k6rA
5mmyA
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Cluster 1 contains 20 ligand types

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 2rl3(A), 3lce(A), 5mmy(A).
		2. Ligand: CIT × 1 citric acid Citric acid PDB code: 2wgv(A).
		3. Ligand: HOQ × 1 (1r)-2-(1-Carboxy-2-Hydroxy-2-Methyl-Propyl)-5,5- Dimethyl-Thiazolidine-4-Carboxylic acid PDB code: 1k54(A).
		4. Ligand: SO4 × 17 Sulfate ion PDB codes: 1e3u(A), 1e4d(A), 1fof(A), 1k4e(A), 1k4f(A), 1k54(A), 1k57(A), 2hp5(A), 2hp6(A), 2hp9(A), 2hpb(A).
		5. Ligand: IAP × 1 4-Iodo-Acetamido phenylboronic acid PDB code: 1k6s(A).
		6. Ligand: SO4 × 11 Sulfate ion PDB codes: 1k55(A), 1k56(A), 2rl3(A), 2wgw(A), 2wkh(A), 2wki(A), 2x01(A), 2x02(A).
		7. Ligand: NXL × 4 (2s,5r)-1-Formyl-5-[(Sulfooxy)amino]piperidine-2- Carboxamide PDB codes: 4s2o(A), 5mnu(A), 5mox(A), 5moz(A).
		8. Ligand: MX1 × 2 (2r)-2-((R)-Carboxy{[carboxy(4-Hydroxyphenyl) acetyl]amino}methoxymethyl)-5-Methylene-5,6-Dihydro- 2h-1,3-Oxazine-4-Carboxylic acid PDB codes: 1k6r(A),
		9. Ligand: PNM × 2 Open form - Penicillin g PDB codes: 2wgi(A),
_Br		10. Metal: _BR × 2 PDB codes: 5mnu(A),
_Cl		11. Metal: _CL × 2 PDB codes: 2wgv(A),
		12. Ligand: 3VU × 1 {(3r)-6-[(3-Amino-1,2,4-Thiadiazol-5-Yl)oxy]-1-Hydroxy- 4,5-Dimethyl-1,3-Dihydro-2,1-Benzoxaborol- 3-Yl}acetic acid PDB code: 4wz5(A).
		13. Ligand: AUC × 1 Gold (I) cyanide ion PDB code: 1e3u(A).
		14. Ligand: C6S × 1 (3r)-3-(Cyclohexylcarbonylamino)-2-Oxidanyl-3,4- Dihydro-1,2-Benzoxaborinine-8-Carboxylic acid PDB code: 5fq9(A).
		15. Ligand: EPE × 1 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB code: 5mmy(A).
		16. Ligand: KJK × 1 (3~{r})-3-[2-[4-(2-Azanylethylamino) cyclohexyl]ethanoylamino]-2-Oxidanyl-3,4-Dihydro-1,2- Benzoxaborinine-8-Carboxylic acid PDB code: 6rtn(A).
		17. Ligand: LCE × 1 (1s,3s,4s,5s)-7,7-Dichloro-3-Methoxy-2- Thiabicyclo[3.2.0]heptan-6-One-4-Carboxylic acid PDB code: 3lce(A).
		18. Ligand: ZZ7 × 1 (2r,4s)-2-[(R)-{[(2r)-2-Amino-2- Phenylacetyl]amino}(carboxy)methyl]-5,5-Dimethyl-1,3- Thiazolidine-4-Carboxylic acid PDB code: 2wkh(A).
_Ca		19. Metal: _CA × 1 PDB code: 1k6s(A).
_Na		20. Metal: _NA × 1 PDB code: 5mox(A).
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Cluster 2 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 4 glycerin Glycerol PDB codes: 2wgw(A), 3lce(A), 5mmy(A), 5moz(A).
		2. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 2x01(A).
		3. Ligand: SO4 × 12 Sulfate ion PDB codes: 1e3u(A), 1e4d(A), 1k54(A), 1k57(A), 2hp5(A), 2hp6(A), 2hp9(A), 1k55(A), 2rl3(A), 2wgw(A), 2wki(A), 4wz5(A).
		4. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 2wki(A), 5mmy(A).

Cluster 3 contains 4 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 2x01(A).
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 2wgw(A).
		3. Ligand: SO4 × 3 Sulfate ion PDB codes: 1e3u(A), 1e4d(A), 1k55(A).
		4. Ligand: EDO × 1 1,2-Ethanediol PDB code: 2wki(A).

Cluster 4 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 7 glycerin Glycerol PDB codes: 2wgv(A), 2wgw(A), 2wki(A), 3lce(A), 5fq9(A), 5mnu(A), 5moz(A).
		2. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 5mmy(A).
		3. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 1e4d(A), 1k54(A).
		4. Ligand: SO4 × 3 Sulfate ion PDB codes: 1e3u(A), 2x01(A), 4wz5(A).

Cluster 5 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 10 glycerin Glycerol PDB codes: 2rl3(A), 2wgv(A), 2wgw(A), 2wki(A), 3lce(A), 5mmy(A), 5mnu(A), 5mox(A), 5moz(A).
		2. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 1e3u(A), 1k54(A), 1k55(A).
		3. Ligand: ACT × 1 Acetate ion PDB code: 5fq9(A).
		4. Ligand: SO4 × 1 Sulfate ion PDB code: 2x01(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: PG4 × 1 Tetraethylene glycol PDB code: 2x02(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 2x01(A).