Ligand clusters for UniProt code Q6XEC0

Ligand clusters for Q6XEC0: Beta-lactamase from Klebsiella pneumoniae

		Top 6 (of 33) ligand clusters Cluster 1. 59 ligand types 80 ligands Cluster 2. 9 ligand types 19 ligands Cluster 3. 2 ligand types 2 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 4 ligand types 7 ligands Cluster 6. 2 ligand types 6 ligands
Representative protein: 6hooA

Structures

PDB		Schematic diagram
6hooA
5qa6A
5qaiA
5qaeA
6rj7A
		more ...

Cluster 1 contains 59 ligand types (of which only 20 are listed. Click for all)

Use checkboxes to select ligands to display in RasMol, Jmol, or download as an SDF file. Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: 1RG × 1 ertapenem (4r,5s)-3-({(3s,5s)-5-[(3-Carboxyphenyl) carbamoyl]pyrrolidin-3-Yl}sulfanyl)-5-[(1s,2r)-1- Formyl- 2-Hydroxypropyl]-4-Methyl-4,5-Dihydro-1h- Pyrrole-2-Carboxylic acid PDB code: 6p99(A).
		2. Ligand: EDO × 6 1,2-Ethanediol PDB codes: 5qa6(A), 5qaa(A), 5qad(A), 5qaq(A), 6i5d(A), 6pxx(A).
		3. Ligand: NXL × 6 (2s,5r)-1-Formyl-5-[(Sulfooxy)amino]piperidine-2- Carboxamide PDB codes: 4s2j(A), 4s2k(A), 4s2n(A), 4wmc(A), 6q5b(A).
_Cl		4. Metal: _CL × 6 PDB codes: 6p96(A), 6p97(A), 6p98(A), 6p99(A), 6p9c(A), 6q5f(B).
		5. Ligand: IM2 × 3 (5r)-5-[(1s,2r)-1-Formyl-2-Hydroxypropyl]-3-[(2-{[(E)- Iminomethyl]amino}ethyl)sulfanyl]-4,5- Dihydro-1h- Pyrrole-2-Carboxylic acid PDB codes: 5qb4(A), 6p97(A), 7kh9(B).
		6. Ligand: MER × 2 (4r,5s)-3-{[(3s,5s)-5-(Dimethylcarbamoyl)pyrrolidin-3- Yl]sulfanyl}-5-[(2s,3r)-3-Hydroxy-1- Oxobutan-2-Yl]-4- Methyl-4,5-D ihydro-1h-Pyrrole-2-Carboxylic acid PDB codes: 6pt1(A), 7khq(A).
		7. Ligand: NO3 × 2 Nitrate ion PDB codes: 6i5d(A),
		8. Ligand: PEG × 2 Di(hydroxyethyl)ether PDB codes: 5hap(A),
_Ca		9. Metal: _CA × 2 PDB codes: 6p97(A), 6p9c(A).
		10. Ligand: 1S7 × 1 (2r)-2-{(1s)-1-Methoxy-2-Oxo-1-[(Thiophen-2-Ylacetyl) amino]ethyl}-5-Methylidene-5,6-Dihydro-2h- 1,3- Thiazine-4-Carboxylic acid PDB code: 6pt5(A).
		11. Ligand: 4J6 × 1 (4r,5s)-5-[(2s,3r)-3-Hydroxy-1-Oxobutan-2-Yl]-4-Methyl- 3-({(3s,5s)-5- [(Sulfamoylamino)methyl]pyrrolidin-3- Yl}sulfanyl)-4,5-Dihydro-1h-Pyrrole-2-Carboxylic acid PDB code: 6p9c(A).
		12. Ligand: 5F3 × 1 3,5-Di(pyridin-4-Yl)benzoic acid PDB code: 5dtk(A).
		13. Ligand: 5F8 × 1 3-(Pyridin-3-Yl)benzoic acid PDB code: 5dts(A).
		14. Ligand: 5FL × 1 3-(Pyridin-4-Yl)benzoic acid PDB code: 5dva(A).
		15. Ligand: 5R7 × 1 (2~{s},3~{r})-3-Methyl-2-[(2~{s},3~{r})-3-Oxidanyl-1- Oxidanylidene-Butan-2-Yl]-4-[(3~{s},5~{s})-5- [(Sulfamoylamino)methyl]pyrrolidin-3-Yl]sulfanyl-3,4- Dihydro-2~{h}-Pyrrole-5-Carboxylic acid PDB code: 6pxx(A).
		16. Ligand: 5VR × 1 [[(3~{r},6~{s})-6-(Acetamidocarbamoyl)-1-Methanoyl- Piperidin-3-Yl]amino] hydrogen sulfate PDB code: 5fas(A).
		17. Ligand: 5VW × 1 [[(3~{r},6~{s})-1-Methanoyl-6-[[(3~{s})-Pyrrolidin-3- Yl]oxycarbamoyl]piperidin-3- Yl]amino] hydrogen sulfate PDB code: 5faq(A).
		18. Ligand: 602 × 1 [[(3~{r},6~{s})-6-[(Azetidin-3-Ylcarbonylamino) carbamoyl]-1-Methanoyl-Piperidin-3- Yl]amino] hydrogen sulfate PDB code: 5fat(A).
		19. Ligand: AUV × 1 3-(2-Hydroxyphenyl)benzoic acid PDB code: 5qa6(A).
		20. Ligand: AV4 × 1 3-[3-(Dimethylamino)phenyl]benzoic acid PDB code: 5qak(A).
+ more. Press for full list

Cluster 2 contains 9 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 6hoo(A), 6i5d(A),
		2. Ligand: EDO × 7 1,2-Ethanediol PDB codes: 5dtk(A), 5hap(A), 5qa7(A), 5qad(A), 5qap(A), 5qau(A), 5qb1(A).
_Co		3. Metal: _CO × 3 PDB codes: 5faq(A), 5fas(A), 5fat(A).
		4. Ligand: HIW × 1 (2r,4s)-2-[(1s,2r)-1-Carboxy-2-Hydroxypropyl]-4-[(2- {[(Z)-Iminomethyl]amino}ethyl)sulfanyl]-3,4- Dihydro- 2h-Pyrrole-5-Ca rboxylic acid PDB code: 6pk0(A).
		5. Ligand: NO3 × 1 Nitrate ion PDB code: 6i5d(A).
		6. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 5hap(A).
		7. Ligand: PGE × 1 Triethylene glycol PDB code: 6q5f(B).
_Ca		8. Metal: _CA × 1 PDB code: 6rj7(A).
_Cl		9. Metal: _CL × 1 PDB code: 6q5f(B).

Cluster 3 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: O6P × 1 doripenem Doripenem PDB code: 6p9c(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 6hoo(A).

Cluster 4 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: QHY × 1 1-{4-[4-(2-Ethoxyphenyl)piperazin-1-Yl]-1,3,5-Triazin- 2-Yl}piperidine-4-Carboxylic acid PDB code: 6uvk(A).

Cluster 5 contains 4 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6pk0(A).
		2. Ligand: EDO × 4 1,2-Ethanediol PDB codes: 5dtk(A), 5qad(A), 5qai(A), 6pxx(A).
		3. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 6i5d(A).
		4. Ligand: SO4 × 1 Sulfate ion PDB code: 6hoo(A).

Cluster 6 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: EDO × 5 1,2-Ethanediol PDB codes: 5qas(A), 5qau(A), 5qb2(A), 6i5d(A), 6pxx(A).
		2. Ligand: 1PE × 1 Pentaethylene glycol PDB code: 5hap(A).