Ligand clusters for UniProt code P47205

Ligand clusters for P47205: UDP-3-O-acyl-N-acetylglucosamine deacetylase from Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)

		Top 6 (of 19) ligand clusters Cluster 1. 19 ligand types 31 ligands Cluster 2. 2 ligand types 6 ligands Cluster 3. 2 ligand types 2 ligands Cluster 4. 2 ligand types 3 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 2 ligand types 4 ligands
Representative protein: 6mo5A

Structures

PDB		Schematic diagram
6mo5A
4fw3A
4fw5A
6mooA
4fw7A
		more ...

Cluster 1 contains 19 ligand types

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Ligand		Description
_Zn		1. Metal: _ZN × 11 PDB codes: 4fw3(A), 4fw4(A), 4fw5(A), 4fw6(A), 4fw7(A), 5n8c(A), 5upg(A), 5vwm(A), 6e54(A), 6moo(A).
_Mg		2. Metal: _MG × 3 PDB codes: 6mo4(A), 6mo5(A), 6mod(A).
		3. Ligand: GOL × 1 glycerin Glycerol PDB code: 4fw7(A).
		4. Ligand: 3P3 × 1 N-[(1s,2r)-2-Hydroxy-1-(Hydroxycarbamoyl)propyl]-4-(4- Phenylbuta-1,3-Diyn-1-Yl)benzamide PDB code: 4fw4(A).
		5. Ligand: 8GJ × 1 (2r)-4-[4-(2-Fluoro-4-Methoxyphenyl)-2-Oxopyridin- 1(2h)-Yl]-N-Hydroxy-2-Methyl-2- (Methylsulfonyl) butanamide PDB code: 5upg(A).
		6. Ligand: 8Q8 × 1 (2~{s})-3-Azanyl-2-[[(1~{r})-5-[2-[4-[[2- (Hydroxymethyl)imidazol-1-Yl]methyl]phenyl]ethynyl]- 2, 3-Dihydro-1~{h}-Inden-1-Yl]amino]-3-Methyl-~{N}- Oxidanyl-Butanamide PDB code: 5n8c(A).
		7. Ligand: A5F × 1 N-[(2s)-3-Azanyl-3-Methyl-1-(Oxidanylamino)-1- Oxidanylidene-Butan-2-Yl]-4-[4-[(1r,2r)-2- (Hydroxymethyl)cyclopropyl]buta-1,3-Diynyl]benzamide PDB code: 6moo(A).
		8. Ligand: ACT × 1 Acetate ion PDB code: 4fw7(A).
		9. Ligand: C90 × 1 N-{(1s,2r)-2-Hydroxy-1-[(Hydroxyamino)carbonyl]propyl}- 4-{[4-(Morpholin-4- Ylmethyl)phenyl]ethynyl}benzamide PDB code: 5vwm(A).
		10. Ligand: HUM × 1 (2s)-4-{4-[4-(Benzyloxy)-2-Fluorophenyl]-2-Oxopyridin- 1(2h)-Yl}-N-Hydroxy-2-Methyl-2- (Methylsulfonyl) butanamide PDB code: 6e54(A).
		11. Ligand: JCG × 1 (2r)-4-{4-[4-(Benzyloxy)-2-Fluorophenyl]-2-Oxopyridin- 1(2h)-Yl}-N-Hydroxy-2-Methyl-2- (Methylsulfonyl) butanamide PDB code: 6e54(A).
		12. Ligand: JWM × 1 N-[(2r)-1-(Hydroxyamino)-3-Methyl-3-(Methylsulfonyl)-1- Oxobutan-2-Yl]-4-(6-Hydroxyhexa-1,3-Diyn-1- Yl) benzamide PDB code: 6mo4(A).
		13. Ligand: JWP × 1 N-[(2s)-1-(Hydroxyamino)-3-Methyl-3-{[(Oxetan-3-Yl) methyl]sulfonyl}-1-Oxobutan-2-Yl]-4-(6- Hydroxyhexa-1, 3-Diyn-1-Yl)benzamide PDB code: 6mo5(A).
		14. Ligand: JWV × 1 N-[(1s)-2-(Hydroxyamino)-1-(3-Methoxy-1,1-Dioxo- 1lambda~6~-Thietan-3-Yl)-2-Oxoethyl]-4-(6- Hydroxyhexa- 1,3-Diyn-1-Yl)benzamide PDB code: 6mod(A).
		15. Ligand: L52 × 1 N-[(2s)-3-Amino-1-(Hydroxyamino)-1-Oxopropan-2-Yl]-4- (4-Phenylbuta-1,3-Diyn-1-Yl)benzamide PDB code: 4fw3(A).
		16. Ligand: L58 × 1 4'-Bromo-N-[(2s,3r)-3-Hydroxy-1-(Hydroxyamino)-1- Oxobutan-2-Yl]biphenyl-4-Carboxamide PDB code: 4fw5(A).
		17. Ligand: L59 × 1 N-[(2s,3r)-3-Hydroxy-1-(Hydroxyamino)-1-Oxobutan-2-Yl]- 4-(Phenylethynyl)benzamide PDB code: 4fw6(A).
		18. Ligand: L63 × 1 N-[(2s,3r)-3-Hydroxy-1-(Hydroxyamino)-1-Oxobutan-2- Yl]biphenyl-4-Carboxamide PDB code: 4fw7(A).
		19. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 4fw6(A).

Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 5 glycerin Glycerol PDB codes: 4fw3(A), 4fw5(A), 4fw6(A), 4fw7(A), 6mod(A).
		2. Ligand: 8GJ × 1 (2r)-4-[4-(2-Fluoro-4-Methoxyphenyl)-2-Oxopyridin- 1(2h)-Yl]-N-Hydroxy-2-Methyl-2- (Methylsulfonyl) butanamide PDB code: 5upg(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4fw7(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5upg(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4fw7(A).
		2. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 5upg(A), 5vwm(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 4fw6(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6mod(A).
_Cl		2. Metal: _CL × 3 PDB codes: 5n8c(A), 5vwm(A), 6e54(A).