Ligand clusters for UniProt code G5ELM3

Ligand clusters for G5ELM3: Metallo-beta-lactamase OS=Serratia marcescens OX=615 GN=SMB-1 PE=1 SV=1

		Top 6 (of 24) ligand clusters Cluster 1. 14 ligand types 39 ligands Cluster 2. 4 ligand types 10 ligands Cluster 3. 2 ligand types 2 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 2 ligands Cluster 6. 1 ligand type 5 ligands
Representative protein: 6k4tA

Structures

PDB		Schematic diagram
6k4tA
5b1uA
6k4xA
5axoA
5b15A
		more ...

Cluster 1 contains 14 ligand types

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: TRS × 3 tromethamine 2-Amino-2-Hydroxymethyl-Propane-1,3-Diol PDB codes: 5axo(A), 6k4t(A), 6k4x(A).
		2. Ligand: COM × 1 coenzyme m 1-Thioethanesulfonic acid PDB code: 5axr(A).
		3. Ligand: GOL × 1 glycerin Glycerol PDB code: 3vpe(A).
		4. Ligand: X8Z × 1 captopril L-Captopril PDB code: 5aya(A).
_Zn		5. Metal: _ZN × 18 PDB codes: 3vpe(A), 3vqz(A), 5axo(A), 5axr(A), 5aya(A), 5b15(A), 5b1u(A), 6k4t(A), 6k4x(A),
		6. Ligand: SO4 × 5 Sulfate ion PDB codes: 5axo(A), 5b15(A), 5b1u(A), 6k4t(A), 6k4x(A).
		7. Ligand: ACT × 2 Acetate ion PDB codes: 3vpe(A),
_Na		8. Metal: _NA × 2 PDB codes: 5axo(A), 5b15(A).
		9. Ligand: D0U × 1 4-Azanyl-2-Sulfanyl-Benzoic acid PDB code: 6k4x(A).
		10. Ligand: DQM × 1 (2~{s},3~{r},4~{s})-2-[(2~{s},3~{r})-1,3-Bis(oxidanyl)- 1-Oxidanylidene-Butan-2-Yl]-3-Methyl-4- [(3~{s},5~{s})- 5-[(Sulfamoylamino)methyl]pyrrolidin-3-Yl]sulfanyl-3, 4-Dihydro-2~{h}-Pyrrole-5- Carboxylic acid PDB code: 5b15(A).
		11. 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-Carboxylic acid PDB code: 5b1u(A).
		12. Ligand: JKE × 1 2-Sulfanylbenzoic acid PDB code: 6k4t(A).
		13. Ligand: LMP × 1 (2~{s},3~{r},4~{s})-2-[(2~{s},3~{r})-1,3-Bis(oxidanyl)- 1-Oxidanylidene-Butan-2-Yl]-4- [(3~{s},5~{s})-5- (Dimethylcarbamoyl)pyrrolidin-3-Yl]sulfanyl-3-Methyl- 3,4-Dihydro-2~{h}-Pyrrole- 5-Carboxylic acid PDB code: 5axo(A).
		14. Ligand: MCR × 1 Sulfanylacetic acid PDB code: 3vqz(A).

Cluster 2 contains 4 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3vpe(A).
		2. Ligand: TRS × 1 tromethamine 2-Amino-2-Hydroxymethyl-Propane-1,3-Diol PDB code: 6k4t(A).
		3. Ligand: SO4 × 5 Sulfate ion PDB codes: 5axo(A), 5b15(A), 5b1u(A), 6k4t(A), 6k4x(A).
_Na		4. Metal: _NA × 3 PDB codes: 5axo(A), 5b15(A), 5b1u(A).

Cluster 3 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3vpe(A).
_Na		2. Metal: _NA × 1 PDB code: 5b1u(A).

Cluster 4 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3vpe(A).

Cluster 5 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: SO4 × 2 Sulfate ion PDB codes: 3vpe(A), 5aya(A).

Cluster 6 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: SO4 × 5 Sulfate ion PDB codes: 3vpe(A), 5axo(A), 5aya(A), 5b15(A), 5b1u(A).