Ligand clusters for UniProt code Q9RZA4

Ligand clusters for Q9RZA4: Bacteriophytochrome from Deinococcus radiodurans (strain ATCC 13939 / DSM 20539 / JCM 16871 / LMG 4051 / NBRC 15346 / NCIMB 9279 / R1 / VKM B-1422)

		Top 6 (of 18) ligand clusters Cluster 1. 4 ligand types 38 ligands Cluster 2. 4 ligand types 7 ligands Cluster 3. 3 ligand types 8 ligands Cluster 4. 3 ligand types 4 ligands Cluster 5. 1 ligand type 3 ligands Cluster 6. 1 ligand type 2 ligands
Representative protein: 6fhtA

Structures

PDB		Schematic diagram
6fhtA
5mg1A
4o0pA
4q0jA
5c5kA
		more ...

Cluster 1 contains 4 ligand types

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Ligand		Description
		1. Ligand: LBV × 31 3-[2-[(Z)-[3-(2-Carboxyethyl)-5-[(Z)-(4-Ethenyl-3- Methyl-5-Oxidanylidene-Pyrrol-2-Ylidene)methyl]- 4- Methyl-Pyrrol-1-Ium-2-Ylidene]methyl]-5-[(Z)-[(3e)-3- Ethylidene-4-Methyl-5-Oxidanylidene- Pyrrolidin-2- Ylidene]methyl]-4-Methyl-1h-Pyrrol-3-Yl]propanoic acid PDB codes: 2o9b(A), 2o9c(A), 3s7n(A), 3s7o(A), 3s7p(A), 3s7q(A), 4cqh(A), 4ijg(A), 4o01(A), 4o0p(A), 4o8g(A), 4q0h(A), 4q0i(A), 4q0j(A), 4y3i(A), 4y5f(A), 4z1w(A), 4zrr(A), 5ajg(A), 5k5b(A), 5l8m(A), 5lbr(A), 5mg0(A), 5mg1(A), 5nfx(A), 5nm3(A), 5nwn(A), 6fht(A), 6ftd(A), 6t3l(B), 6t3u(B).
		2. Ligand: LBW × 4 3-[2-[(Z)-[5-[(Z)-(4-Ethenyl-3-Methyl-5-Oxidanylidene- Pyrrol-2-Ylidene)methyl]-3-(3-Hydroxy-3- Oxopropyl)-4- Methyl-Pyrrol-1-Ium-2-Ylidene]methyl]-5-[(Z)-[(3e,4r)- 3-Ethylidene-4-Methyl-5- Oxidanylidene-Pyrrolidin-2- Ylidene]methyl]-4-Methyl-1h-Pyrrol-3-Yl]propanoic acid PDB codes: 3s7q(A), 4o8g(A), 4z1w(A), 4zrr(A).
		3. Ligand: BLA × 2 Biliverdine IX alpha PDB codes: 1ztu(A), 5c5k(A).
		4. Ligand: ACT × 1 Acetate ion PDB code: 5c5k(A).

Cluster 2 contains 4 ligand types

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Ligand		Description
		1. Ligand: IPA × 2 isopropyl alcohol Isopropyl alcohol PDB codes: 4q0h(A),
		2. Ligand: PO4 × 3 Phosphate ion PDB codes: 3s7q(A), 4ijg(A), 4zrr(A).
		3. Ligand: 12P × 1 Dodecaethylene glycol PDB code: 6fht(A).
		4. Ligand: SO4 × 1 Sulfate ion PDB code: 6fht(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 3s7o(A), 3s7q(A), 4ijg(A).
		2. Ligand: IPA × 2 isopropyl alcohol Isopropyl alcohol PDB codes: 4q0h(A), 4q0i(A).
		3. Ligand: ACT × 3 Acetate ion PDB codes: 5k5b(A), 5nfx(A), 6ftd(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 3s7q(A), 4ijg(A).
_Cl		2. Metal: _CL × 1 PDB code: 4q0h(A).
_Na		3. Metal: _NA × 1 PDB code: 4cqh(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: MPD × 3 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 5k5b(A), 5nfx(A), 6ftd(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: PEG × 2 Di(hydroxyethyl)ether PDB codes: 4ijg(A), 4zrr(A).