Ligand clusters for UniProt code Q9HY79

Ligand clusters for Q9HY79: Bacterioferritin from Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)

		Top 6 (of 20) ligand clusters Cluster 1. 8 ligand types 9 ligands Cluster 2. 1 ligand type 31 ligands Cluster 3. 5 ligand types 17 ligands Cluster 4. 3 ligand types 5 ligands Cluster 5. 2 ligand types 5 ligands Cluster 6. 3 ligand types 9 ligands
Representative protein: 4e6kA

Structures

PDB		Schematic diagram
4e6kA
4tofA
3is7A
4tohA
5d8oA
		more ...

Cluster 1 contains 8 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: KSY × 2 4-{[3-(3-Hydroxyphenyl)propyl]amino}-1h-Isoindole-1, 3(2h)-Dione PDB codes: 6nln(A),
		2. Ligand: KT1 × 1 4-{[3-(4-Hydroxy-2-Methoxyphenyl)propyl]amino}-1h- Isoindole-1,3(2h)-Dione PDB code: 6nlm(A).
		3. Ligand: KT4 × 1 4-{[3-(2,4-Dihydroxyphenyl)propyl]amino}-1h-Isoindole- 1,3(2h)-Dione PDB code: 6nll(A).
		4. Ligand: KT7 × 1 5-Hydroxy-1h-Isoindole-1,3(2h)-Dione PDB code: 6nlg(A).
		5. Ligand: KTG × 1 4-{[3-(4-Hydroxyphenyl)propyl]amino}-1h-Isoindole-1, 3(2h)-Dione PDB code: 6nlk(A).
		6. Ligand: KTM × 1 4-{[(2-Hydroxyphenyl)methyl]amino}-1h-Isoindole-1, 3(2h)-Dione PDB code: 6nli(A).
		7. Ligand: VXS × 1 4-{[3-(2-Hydroxyphenyl)propyl]amino}-1h-Isoindole-1, 3(2h)-Dione PDB code: 7k5g(A).
		8. Ligand: VXV × 1 4-{[3-(3-Chloro-5-Hydroxyphenyl)propyl]amino}-1h- Isoindole-1,3(2h)-Dione PDB code: 7k5h(A).

Cluster 2 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: HEM × 31 Protoporphyrin IX containing fe PDB codes: 3is7(A), 3is8(A), 3ise(A), 3isf(A), 4e6k(A), 4to9(A), 4toa(A), 4tob(A), 4toc(A), 4tod(A), 4toe(A), 4tof(A), 4tog(A), 4toh(A), 5d8o(A), 5d8p(A), 5d8q(A), 5d8r(A), 5d8s(A), 5d8x(A), 5d8y(A), 6nlg(A), 6nli(A), 6nlk(A), 6nll(A), 6nlm(A), 6nln(A), 7k5e(A), 7k5f(A), 7k5g(A), 7k5h(A).

Cluster 3 contains 5 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: PG4 × 9 Tetraethylene glycol PDB codes: 5d8o(A), 6nli(A), 6nlk(A), 6nll(A), 6nlm(A), 6nln(A),
_Na		2. Metal: _NA × 4 PDB codes: 4e6k(A), 4tof(A), 4tog(A), 5d8x(A).
Fe2		3. Metal: FE2 × 2 PDB codes: 4toe(A), 4toh(A).
		4. Ligand: MES × 1 2-(N-Morpholino)-Ethanesulfonic acid PDB code: 4tob(A).
		5. Ligand: MRD × 1 (4r)-2-Methylpentane-2,4-Diol PDB code: 5d8x(A).

Cluster 4 contains 3 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: MPD × 2 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 4tof(A), 4tog(A).
		2. Ligand: PG4 × 2 Tetraethylene glycol PDB codes: 5d8o(A), 6nlk(A).
		3. Ligand: SO4 × 1 Sulfate ion PDB code: 6nlg(A).

Cluster 5 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: PG4 × 4 Tetraethylene glycol PDB codes: 5d8o(A), 6nli(A), 6nll(A), 6nlm(A).
		2. Ligand: MES × 1 2-(N-Morpholino)-Ethanesulfonic acid PDB code: 4tob(A).

Cluster 6 contains 3 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
Fe2		1. Metal: FE2 × 7 PDB codes: 3is8(A), 4toa(A), 4toc(A), 4toe(A), 4toh(A), 5d8p(A), 5d8y(A).
		2. Ligand: PG4 × 1 Tetraethylene glycol PDB code: 6nll(A).
		3. Ligand: SO4 × 1 Sulfate ion PDB code: 6nlg(A).