Ligand clusters for UniProt code Q51504

Ligand clusters for Q51504: Peptidoglycan D,D-transpeptidase FtsI from Pseudomonas aeruginosa

		Top 6 (of 15) ligand clusters Cluster 1. 10 ligand types 12 ligands Cluster 2. 1 ligand type 6 ligands Cluster 3. 2 ligand types 3 ligands Cluster 4. 1 ligand type 2 ligands Cluster 5. 1 ligand type 2 ligands Cluster 6. 1 ligand type 2 ligands
Representative protein: 5df7A

Structures

PDB		Schematic diagram
5df7A
5df8A
5df7B
5df9A
5df8B
		more ...

Cluster 1 contains 10 ligand types

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Ligand		Description
		1. Ligand: AZR × 1 aztreonam Aztreonam PDB code: 3pbs(A).
		2. Ligand: 59F × 2 (2r,4r,5r)-2-[(1r)-1-{[(2r)-2-{[(4-Ethyl-2,3- Dioxopiperazin-1-Yl)carbonyl]amino}-2-(4- Hydroxyphenyl)acetyl]amino}-2-Oxoethyl]-5-Methyl-1,3- Thiazinane-4-Carboxylic acid PDB codes: 5df8(A),
		3. Ligand: 59H × 2 (2r,4s)-5,5-Dimethyl-2-[(1r)-2-Oxo-1-{[(2r)-2-{[(2- Oxoimidazolidin-1-Yl)carbonyl]amino}-2- Phenylacetyl]amino}ethyl]-1,3-Thiazolidine-4- Carboxylic acid PDB codes: 5df7(A),
		4. Ligand: 0W0 × 1 (4r,5s,8z)-8-(2-Amino-1,3-Thiazol-4-Yl)-1-[3-(1,5- Dihydroxy-4-Oxo-1,4-Dihydropyridin-2-Yl)-1,2- Oxazol-5- Yl]-5-Formyl-11,11-Dimethyl-1,7-Dioxo-4-(Sulfoamino)- 10-Oxa-2,6,9-Triazadodec-8-En-12- Oic acid PDB code: 4fsf(A).
		5. Ligand: 59J × 1 (2r,5r)-2-[(R)-Carboxy{[(2r)-2-{[(4-Ethyl-2,3- Dioxopiperazin-1-Yl)carbonyl]amino}-2-(4- Hydroxyphenyl)acetyl]amino}methyl]-5-Methyl-5,6- Dihydro-2h-1,3-Thiazine-4-Carboxylic acid PDB code: 5df9(A).
		6. Ligand: CB9 × 1 (2r,4s)-2-[(1r)-1-{[(2s)-2-Carboxy-2- Phenylacetyl]amino}-2-Oxoethyl]-5,5-Dimethyl-1,3- Thiazolidine-4-Carboxylic acid PDB code: 3ocl(A).
		7. Ligand: CTJ × 1 1-({(2r)-2-[(1r)-1-{[(2z)-2-(2-Amino-1,3-Thiazol-4-Yl)- 2-{[(2-Carboxypropan-2- Yl)oxy]imino}acetyl]amino}-2- Oxoethyl]-4-Carboxy-3,6-Dihydro-2h-1,3-Thiazin-5- Yl}methyl)pyridinium PDB code: 3ocn(A).
		8. Ligand: PFV × 1 (6r,7s,10z)-10-(2-Amino-1,3-Thiazol-4-Yl)-1-(1,5- Dihydroxy-4-Oxo-1,4-Dihydropyridin-2-Yl)-7- Formyl-13, 13-Dimethyl-3,9-Dioxo-6-(Sulfoamino)-12-Oxa-2,4,8,11- Tetraazatetradec-10-En-14- Oic acid PDB code: 4l0l(A).
		9. Ligand: VMM × 1 Etx0462 (bound form) PDB code: 7jwl(A).
		10. Ligand: XVG × 1 1-[(2s)-2-{[(2z)-2-(2-Amino-5-Chloro-1,3-Thiazol-4-Yl)- 2-{[(2-Carboxypropan-2- Yl)oxy]imino}acetyl]amino}-3- Oxopropyl]-4-{[2-(5,6-Dihydroxy-1,3-Dioxo-1,3-Dihydro- 2h-Isoindol- 2-Yl)ethyl]carbamoyl}-2,5-Dihydro-1h- Pyrazole-3-Carboxylic acid PDB code: 7lc4(A).

Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 6 glycerin Glycerol PDB codes: 3ocl(A), 5df7(A), 5df8(A), 5df9(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
_Cl		1. Metal: _CL × 2 PDB codes: 3ocl(A), 5df8(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 5df9(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 5df7(B), 5df8(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 5df8(A),

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 5df8(B),