Ligand clusters for UniProt code Q5SLE7

Ligand clusters for Q5SLE7: Peptidyl-prolyl cis-trans isomerase from Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)

		Top 6 (of 13) ligand clusters Cluster 1. 11 ligand types 24 ligands Cluster 2. 2 ligand types 2 ligands Cluster 3. 3 ligand types 4 ligands Cluster 4. 3 ligand types 6 ligands Cluster 5. 2 ligand types 2 ligands Cluster 6. 1 ligand type 1 ligand
Representative protein: 3cgmA

Structures

PDB		Schematic diagram
3cgmA
4odmA
4odoA
3cgnA
4odkA
		more ...

Cluster 1 contains 11 ligand types

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Ligand		Description
		1. Ligand: GOL × 5 glycerin Glycerol PDB codes: 3cgm(A), 4odm(A), 4odn(A), 4odr(A).
		2. Ligand: FK5 × 3 tacrolimus 8-Deethyl-8-[But-3-Enyl]-Ascomycin PDB codes: 4odo(A), 4odr(A),
_Zn		3. Metal: _ZN × 2 PDB codes: 3luo(A), 4odr(A).
_Cl		4. Metal: _CL × 7 PDB codes: 4odk(A), 4odm(A), 4odn(A), 4odo(A), 4odp(A), 4odq(A), 4odr(A).
		5. Ligand: ALA-ASN-PRO-LYS-MET-LYS-PRO-PHE-ILE-PHE × 1 PDB code: 4odm(A).
		6. Ligand: GLY-ILE-VAL-LYS-PRO-TRP × 1 PDB code: 4odq(A).
		7. Ligand: MET-LYS-PRO-PHE-ILE × 1 PDB code: 4odp(A).
		8. Ligand: SIN-ALA-LEU-PRO-ALA-NIT × 1 SIN=Succinic acid, NIT=4-Nitroaniline. PDB code: 3luo(A).
		9. Ligand: SO4 × 1 Sulfate ion PDB code: 4odn(A).
		10. Ligand: TYR-PRO-HIS × 1 PDB code: 4odk(A).
_Na		11. Metal: _NA × 1 PDB code: 4odn(A).

Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: FK5 × 1 tacrolimus 8-Deethyl-8-[But-3-Enyl]-Ascomycin PDB code: 4odo(A).
		2. Ligand: HIS-LYS-TYR-ASN-ASN-TYR-GLU-GLY-NH2 × 1 NH2=Amino group. PDB code: 4odk(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
_Ca		1. Metal: _CA × 2 PDB codes: 4odp(A), 4odq(A).
		2. Ligand: MET-LYS-PRO-PHE-ILE-PHE × 1 PDB code: 4odm(A).
		3. Ligand: PRO-PHE-ILE-PHE × 1 PDB code: 4odm(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 4odn(A), 4odr(A).
		2. Ligand: SO4 × 2 Sulfate ion PDB codes: 3cgn(A), 4odn(A).
_Ca		3. Metal: _CA × 2 PDB codes: 4odp(A), 4odq(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4odr(A).
		2. Ligand: ACT × 1 Acetate ion PDB code: 4odm(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4odr(A).