Ligand clusters for UniProt code P0A2K1

Ligand clusters for P0A2K1: Tryptophan synthase beta chain from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)

		Top 6 (of 41) ligand clusters Cluster 1. 25 ligand types 90 ligands Cluster 2. 3 ligand types 27 ligands Cluster 3. 6 ligand types 18 ligands Cluster 4. 6 ligand types 37 ligands Cluster 5. 5 ligand types 30 ligands Cluster 6. 4 ligand types 6 ligands
Representative protein: 4y6gB

Structures

PDB		Schematic diagram
4y6gB
1c8vB
1c9dB
1k8zB
1ttpB
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Cluster 1 contains 25 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: PLP × 45 pyridoxal phosphate Pyridoxal-5'-Phosphate PDB codes: 1a50(B), 1a5a(B), 1a5b(B), 1bks(B), 1c29(B), 1c8v(B), 1c9d(B), 1cw2(B), 1cx9(B), 1fuy(B), 1k3u(B), 1k7e(B), 1k7f(B), 1k7x(B), 1k8x(B), 1k8y(B), 1k8z(B), 1kfb(B), 1kfc(B), 1kfk(B), 1qop(B), 1qoq(B), 1tjp(B), 1ttp(B), 1ttq(B), 1wbj(B), 2cle(B), 2clf(B), 2clh(B), 2cli(B), 2clk(B), 2j9z(B), 2rh9(B), 2rhg(B), 2wsy(B), 4ht3(B), 4wx2(B), 4xug(B), 4y6g(B), 4zqc(B), 5bw6(B), 5cgq(B), 6c73(B), 6wx3(B), 6xnc(B).
		2. Ligand: PLT × 1 [3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4- Ylmethyl]-L-Tryptophane PDB code: 2tys(B).
		3. Ligand: PLS × 7 [3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4- Ylmethyl]-Serine PDB codes: 1beu(B), 1kfe(B), 1kfj(B), 2cll(B), 2clm(B), 2clo(B), 2trs(B).
		4. Ligand: F6F × 1 2-{[4-(Trifluoromethoxy)benzoyl]amino}ethyl dihydrogen phosphate PDB code: 2clf(B).
		5. Ligand: P1T × 1 2-[({3-Hydroxy-2-Methyl-5-[(Phosphonooxy) methyl]pyridin-4-Yl}methyl)amino]acrylic acid PDB code: 2j9x(B).
		6. Ligand: PLS × 1 [3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4- Ylmethyl]-Serine PDB code: 2tsy(B).
		7. Ligand: 0JO × 5 2-{[(E)-{3-Hydroxy-2-Methyl-5-[(Phosphonooxy) methyl]pyridin-4-Yl}methylidene]amino}prop-2- Enoic acid PDB codes: 4hn4(B), 4hpx(B), 6d0v(B), 6vnt(B), 6x0c(B).
		8. Ligand: 1D0 × 4 (2e)-2-[({3-Hydroxy-2-Methyl-5-[(Phosphonooxy) methyl]pyridin-4-Yl}methyl)imino]-3-[(2- Hydroxyphenyl)amino]propanoic acid PDB codes: 4hpj(B), 6duc(B), 6o1h(B), 6xe3(B).
		9. Ligand: F6F × 3 2-{[4-(Trifluoromethoxy)benzoyl]amino}ethyl dihydrogen phosphate PDB codes: 4wx2(B), 4y6g(B), 4zqc(B).
		10. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 4ht3(B), 4xug(B).
		11. Ligand: KOU × 3 (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy) methyl]pyridin-4-Yl}methylidene)-L-Serine PDB codes: 6dz4(B), 6dzo(B), 6wdu(B).
		12. Ligand: BZI × 2 Benzimidazole PDB codes: 4hpx(B), 6x0c(B).
		13. Ligand: TRP × 2 PDB codes: 5cgq(B), 6xnc(B).
		14. Ligand: 7MN × 1 (Z)-N-[(1e)-1-Carboxy-2-(2,3-Dihydro-1h-Indol-1-Yl) ethylidene]{3-Hydroxy-2-Methyl-5- [(Phosphonooxy) methyl]pyridin-4(1h)-Ylidene}methanaminium PDB code: 3pr2(B).
		15. Ligand: AQ3 × 1 N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)methyl]pyridin- 4-Yl}methyl)-3-[(2-Hydroxyphenyl)amino]-D- Alanine PDB code: 4kkx(B).
		16. Ligand: FOO × 1 (3e)-4-{3-Hydroxy-2-Methyl-5-[(Phosphonooxy) methyl]pyridin-4-Yl}-2-Iminobut-3-Enoic acid PDB code: 2j9y(B).
		17. Ligand: PLP-MH6-IDM × 1 IDM=Indoline, PLP=Pyridoxal-5'-Phosphate, MH6=3-Hydroxy-2-Iminopropanoic acid. PDB code: 3cep(B).
		18. Ligand: PLP-SER × 1 PLP=Pyridoxal-5'-Phosphate. PDB code: 1a5s(B).
		19. Ligand: SER-PLP × 1 PLP=Pyridoxal-5'-Phosphate. PDB code: 1ubs(B).
		20. Ligand: VB4 × 1 (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy) methyl]pyridin-4-Yl}methylidene)-D-Tryptophan PDB code: 6xoy(B).
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Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: F6F × 3 2-{[4-(Trifluoromethoxy)benzoyl]amino}ethyl dihydrogen phosphate PDB codes: 2cle(B), 2clf(B), 2clm(B).
		2. Ligand: F9F × 17 2-({[4-(Trifluoromethoxy)phenyl]sulfonyl} amino)ethyl dihydrogen phosphate PDB codes: 2cli(B), 2cll(B), 3pr2(B), 4hn4(B), 4hpj(B), 4hpx(B), 4ht3(B), 4xug(B), 5cgq(B), 6c73(B), 6d0v(B), 6duc(B), 6dzo(B), 6o1h(B), 6vnt(B), 6wx3(B), 6xe3(B).
		3. Ligand: F6F × 7 2-{[4-(Trifluoromethoxy)benzoyl]amino}ethyl dihydrogen phosphate PDB codes: 4kkx(B), 4wx2(B), 4y6g(B), 4zqc(B), 5bw6(B).

Cluster 3 contains 6 ligand types

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Ligand		Description
		1. Ligand: DMS × 6 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 6c73(B), 6dz4(B), 6wdu(B), 6xoy(B), 6xrh(B), 6xt0(B).
		2. Ligand: EDO × 4 1,2-Ethanediol PDB codes: 4kkx(B), 4wx2(B), 5cgq(B), 6wx3(B).
		3. Ligand: PEG × 4 Di(hydroxyethyl)ether PDB codes: 4hn4(B), 4hpj(B), 4ht3(B), 6vnt(B).
		4. Ligand: BZI × 2 Benzimidazole PDB codes: 4hpx(B), 6x0c(B).
		5. Ligand: 2AP × 1 2-Aminopyridine PDB code: 6duc(B).
		6. Ligand: HVK × 1 Pyridin-2-Amine PDB code: 6o1h(B).

Cluster 4 contains 6 ligand types

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Ligand		Description
		1. Ligand: DMS × 18 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 4zqc(B), 6c73(B), 6d0v(B), 6duc(B), 6dz4(B), 6dzo(B), 6o1h(B), 6wdu(B), 6x0c(B), 6xe3(B), 6xnc(B),
		2. Ligand: EDO × 8 1,2-Ethanediol PDB codes: 4ht3(B), 4kkx(B), 6d0v(B), 6duc(B), 6vnt(B), 6xe3(B).
		3. Ligand: PEG × 5 Di(hydroxyethyl)ether PDB codes: 4hn4(B), 4hpj(B), 4hpx(B), 6x0c(B).
		4. Ligand: BCN × 4 Bicine PDB codes: 4hn4(B), 4hpx(B), 4ht3(B), 6wx3(B).
		5. Ligand: PGE × 1 Triethylene glycol PDB code: 4ht3(B).
_Na		6. Metal: _NA × 1 PDB code: 4kkx(B).

Cluster 5 contains 5 ligand types

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Ligand		Description
		1. Ligand: DMS × 15 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 2j9x(B), 6c73(B), 6d0v(B), 6duc(B), 6dzo(B), 6o1h(B), 6wdu(B), 6x0c(B), 6xe3(B), 6xnc(B), 6xoy(B), 6xrh(B), 6xt0(B).
		2. Ligand: PEG × 5 Di(hydroxyethyl)ether PDB codes: 4hn4(B), 4hpj(B), 4hpx(B), 4wx2(B), 6vnt(B).
_Cs		3. Metal: _CS × 5 PDB codes: 1ttp(B), 2j9x(B), 3cep(B), 3pr2(B), 6duc(B).
		4. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 4kkx(B), 6d0v(B), 6wdu(B).
		5. Ligand: PGE × 2 Triethylene glycol PDB codes: 4ht3(B), 4kkx(B).

Cluster 6 contains 4 ligand types

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Ligand		Description
		1. Ligand: DMS × 2 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 6wdu(B), 6xnc(B).
		2. Ligand: PEG × 2 Di(hydroxyethyl)ether PDB codes: 6c73(B), 6wdu(B).
		3. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6c73(B).
		4. Ligand: PGE × 1 Triethylene glycol PDB code: 4ht3(B).