Ligand clusters for UniProt code P10844

Ligand clusters for P10844: Botulinum neurotoxin type B from Clostridium botulinum

		Top 6 (of 18) ligand clusters Cluster 1. 4 ligand types 5 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 5 ligand types 15 ligands Cluster 4. 1 ligand type 4 ligands Cluster 5. 2 ligand types 3 ligands Cluster 6. 2 ligand types 7 ligands
Representative protein: 2np0A

Structures

PDB		Schematic diagram
2np0A
1s0dA
1g9dA
1epwA
1i1eA
		more ...

Cluster 1 contains 4 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: DM2 × 1 doxorubicin Doxorubicin PDB code: 1i1e(A).
		2. Ligand: BGC-GAL-NGA-GAL-SIA-SIA × 2 BGC=Beta-D-Glucopyranose, GAL=Beta-D-Galactopyranose, NGA=2-Acetamido-2-Deoxy-Beta-D-Galactopyranose, SIA=N-Acetyl-Alpha-Neuraminic acid. PDB codes: 4kbb(A), 6qns(A).
		3. Ligand: GLC-GLA-SIA × 1 GLC=Alpha-D-Glucopyranose, GLA=Alpha-D-Galactopyranose, SIA=N-Acetyl-Alpha-Neuraminic acid. PDB code: 1f31(A).
		4. Ligand: SO4 × 1 Sulfate ion PDB code: 6uft(A).

Cluster 2 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: BGC-GAL-NGA-GAL-SIA-SIA × 1 BGC=Beta-D-Glucopyranose, GAL=Beta-D-Galactopyranose, NGA=2-Acetamido-2-Deoxy-Beta-D-Galactopyranose, SIA=N-Acetyl-Alpha-Neuraminic acid. PDB code: 4kbb(A).

Cluster 3 contains 5 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 4 glycerin Glycerol PDB codes: 6g5f(A),
_Zn		2. Metal: _ZN × 4 PDB codes: 1g9a(A), 1g9b(A), 1g9c(A), 1g9d(A).
		3. Ligand: BAB × 4 Bis(5-Amidino-Benzimidazolyl)methane PDB codes: 1g9a(A), 1g9b(A), 1g9c(A), 1g9d(A).
		4. Ligand: MLI × 2 Malonate ion PDB codes: 6g5f(A),
_Ca		5. Metal: _CA × 1 PDB code: 2np0(A).

Cluster 4 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: BAB × 4 Bis(5-Amidino-Benzimidazolyl)methane PDB codes: 1g9a(A), 1g9b(A), 1g9c(A), 1g9d(A).

Cluster 5 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: TRS × 2 tromethamine 2-Amino-2-Hydroxymethyl-Propane-1,3-Diol PDB codes: 6g5g(A),
		2. Ligand: ACT × 1 Acetate ion PDB code: 6g5g(B).

Cluster 6 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6g5g(B).
_Ca		2. Metal: _CA × 6 PDB codes: 1s0b(A), 1s0c(A), 1s0d(A), 1s0e(A), 1s0f(A), 2np0(A).