Ligand clusters for UniProt code Q7NDN8

Ligand clusters for Q7NDN8: Proton-gated ion channel from Gloeobacter violaceus (strain ATCC 29082 / PCC 7421)

		Top 6 (of 23) ligand clusters Cluster 1. 21 ligand types 261 ligands Cluster 2. 10 ligand types 47 ligands Cluster 3. 3 ligand types 4 ligands Cluster 4. 10 ligand types 54 ligands Cluster 5. 9 ligand types 54 ligands Cluster 6. 6 ligand types 51 ligands
Representative protein: 5osaA

Structures

PDB		Schematic diagram
5osaA
5osbA
5oscA
4qh4A
6f0vA
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Cluster 1 contains 21 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: PFL × 3 propofol 2,6-Bis(1-Methylethyl)phenol PDB codes: 3p50(A), 5muo(A), 5mzr(A).
		2. Ligand: DSF × 1 desflurane (2s)-2-(Difluoromethoxy)-1,1,1,2-Tetrafluoroethane PDB code: 3p4w(A).
		3. Ligand: EDP × 1 thiopental 5-Ethyl-5-[(2r)-Pentan-2-Yl]-2-Thioxodihydropyrimidine- 4,6(1h,5h)-Dione PDB code: 5l4e(A).
		4. Ligand: LMT × 132 Dodecyl-Beta-D-Maltoside PDB codes: 3eam(A), 3p4w(A), 3p50(A), 3tls(A), 3tlt(A), 3tlu(A), 3tlv(A), 3tlw(A), 3uu3(A), 3uu4(A), 3uu5(A), 3uu6(A), 3uu8(A), 3uub(A), 4hfc(A), 4hfd(A), 4hfe(A), 4hfh(A), 4hfi(A), 4il9(A), 4ila(A), 4ilb(A), 4ilc(A), 4lmj(E), 4qh4(A), 4qh5(A), 4zzb(A), 4zzc(A), 5hcj(A), 5hcm(A), 5iux(A), 5j0z(A), 5l4h(A), 5muo(A), 5mvm(A), 5mvn(A), 5mzr(A), 5mzt(A), 5v6n(C), 5v6o(A), 6f0i(A), 6f0j(A), 6f0m(A), 6f0n(A), 6f0r(A), 6f0u(A), 6f0v(A), 6f0z(A), 6f10(A), 6f11(A), 6f12(A), 6f13(A), 6f15(A), 6f16(A), 6hj3(A), 6hjb(A), 6hji(A), 6hjz(A), 6hpp(A), 6hy5(A), 6hy9(A), 6hya(A), 6hyr(A), 6hyv(A), 6hyw(A), 6hyx(A), 6hyz(A), 6hz0(A), 6hz1(A), 6hzw(A), 6i08(D).
		5. Ligand: PLC × 66 Diundecyl phosphatidyl choline PDB codes: 3p4w(A), 3p50(A), 3uu5(A), 3uu6(A), 3uu8(A), 3uub(A), 4hfb(A), 4hfc(A), 4hfd(A), 4hfe(A), 4hfh(A), 4hfi(A), 4il9(A), 4ila(A), 4ilb(A), 4ilc(A), 4zzc(A), 5j0z(A), 5mur(A), 5mvm(A), 5mvn(A), 5mzr(A), 5mzt(A), 6f0m(A), 6f0n(A), 6f0r(A), 6f0u(A), 6f13(A), 6f15(A), 6f16(A), 6hj3(A), 6hja(A), 6hjb(A), 6hji(A), 6hjz(A), 6hy5(A), 6hyv(A), 6hyw(A), 6hyz(A), 6hz0(A), 6hz1(A), 6hzw(A), 6i08(D).
		6. Ligand: MBR × 11 Tribromomethane PDB codes: 4hfd(A), 4hfh(A), 5mzq(A), 5mzt(A), 6emx(A).
		7. Ligand: SO4 × 8 Sulfate ion PDB codes: 4ilc(A), 5j0z(A), 5v6n(C), 5v6o(A),
		8. Ligand: LMD × 7 Tetradecyl 4-O-Alpha-D-Glucopyranosyl-Beta-D- Glucopyranoside PDB codes: 4f8h(A), 4ire(A),
		9. Ligand: UNL × 7 Unknown ligand PDB codes: 4hfe(A), 4hfh(A), 4il9(A), 4ila(A), 4ilb(A), 4ilc(A).
		10. Ligand: D12 × 6 Dodecane PDB codes: 5l47(A), 5l4e(A), 5mzq(A), 6hja(A).
		11. Ligand: PC1 × 6 1,2-Diacyl-Sn-Glycero-3-Phosphocholine PDB codes: 3eam(A), 4f8h(A), 4ire(A), 5iux(A),
		12. Ligand: LSM × 2 Dodecyl 4-O-Alpha-D-Glucopyranosyl-1-Seleno-Beta-D- Glucopyranoside PDB codes: 4il4(A),
		13. Ligand: Y01 × 2 Cholesterol hemisuccinate PDB codes: 5osa(A), 5osc(A).
_Na		14. Metal: _NA × 2 PDB codes: 4lmj(E), 4qh1(A).
		15. Ligand: 2IL × 1 (3r)-3-(Dodecanoyloxy)tetradecanoic acid PDB code: 5mzq(A).
		16. Ligand: 6JA × 1 2-[5-Ethyl-2,4,6-Tris(oxidanylidene)-1,3-Diazinan-5- Yl]ethyl selenocyanate PDB code: 5l47(A).
		17. Ligand: 6JW × 1 5-(2-Bromoethyl)-5-Ethyl-1,3-Diazinane-2,4,6-Trione PDB code: 5l4h(A).
		18. Ligand: A8Z × 1 Tetrahydrodeoxycorticosterone PDB code: 5osb(A).
		19. Ligand: OXL × 1 Oxalate ion PDB code: 4ire(A).
		20. Ligand: PC8 × 1 1,2-Dioctanoyl-Sn-Glycero-3-Phosphocholine PDB code: 5mzq(A).
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Cluster 2 contains 10 ligand types

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Ligand		Description
		1. Ligand: PLC × 22 Diundecyl phosphatidyl choline PDB codes: 3uu5(A), 3uu8(A), 3uub(A), 4hfi(A), 5mvm(A), 5mvn(A), 5mzr(A), 5mzt(A), 6f0m(A), 6f0u(A), 6f13(A), 6f15(A), 6f16(A), 6hj3(A), 6hji(A), 6hjz(A), 6hyv(A), 6hyw(A), 6hyz(A), 6hz0(A), 6hz1(A), 6hzw(A).
		2. Ligand: UNL × 12 Unknown ligand PDB codes: 4hfe(A), 4hfh(A), 4il9(A), 4ila(A), 4ilb(A), 4ilc(A),
		3. Ligand: PC1 × 4 1,2-Diacyl-Sn-Glycero-3-Phosphocholine PDB codes: 3eam(A), 5iux(A),
		4. Ligand: SO4 × 2 Sulfate ion PDB codes: 5v6n(C), 5v6o(A).
		5. Ligand: Y01 × 2 Cholesterol hemisuccinate PDB codes: 5osa(A), 5osc(A).
		6. Ligand: 2IL × 1 (3r)-3-(Dodecanoyloxy)tetradecanoic acid PDB code: 5mzq(A).
		7. Ligand: A8W × 1 Pregnenolone sulfate PDB code: 5osc(A).
		8. Ligand: A8Z × 1 Tetrahydrodeoxycorticosterone PDB code: 5osb(A).
		9. Ligand: D12 × 1 Dodecane PDB code: 5osa(A).
		10. Ligand: OXL × 1 Oxalate ion PDB code: 4ire(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: HXA × 1 doconexent Docosa-4,7,10,13,16,19-Hexaenoic acid PDB code: 5j0z(A).
		2. Ligand: PC1 × 2 1,2-Diacyl-Sn-Glycero-3-Phosphocholine PDB codes: 4f8h(A), 4ire(A).
		3. Ligand: LMT × 1 Dodecyl-Beta-D-Maltoside PDB code: 6hzw(A).

Cluster 4 contains 10 ligand types

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Ligand		Description
		1. Ligand: PPI × 1 propanoic acid Propanoic acid PDB code: 6hpp(A).
		2. Ligand: SIN × 1 succinic acid Succinic acid PDB code: 6hjz(A).
		3. Ligand: ACT × 45 Acetate ion PDB codes: 4hfb(A), 4hfc(A), 4hfd(A), 4hfe(A), 4hfh(A), 4hfi(A), 4il4(A), 4il9(A), 4ila(A), 4ilb(A), 4ilc(A), 4ire(A), 4x5t(A), 4zzc(A), 5iux(A), 5mur(A), 5mvm(A), 5mvn(A), 5mzq(A), 5mzr(A), 5mzt(A), 5osa(A), 5osb(A), 5osc(A), 6f0i(A), 6f0j(A), 6f0m(A), 6f0n(A), 6f0r(A), 6f0u(A), 6f0v(A), 6f0z(A), 6f10(A), 6f11(A), 6f12(A), 6f13(A), 6f15(A), 6f16(A), 6hy5(A), 6hyv(A), 6hyw(A), 6hyz(A), 6hz0(A), 6hz1(A), 6hzw(A).
		4. Ligand: BEO × 1 Butenoic acid PDB code: 6hji(A).
		5. Ligand: BXA × 1 Bromoacetic acid PDB code: 4qh1(A).
		6. Ligand: FUM × 1 Fumaric acid PDB code: 6hj3(A).
		7. Ligand: GUA × 1 Glutaric acid PDB code: 6hja(A).
		8. Ligand: MLA × 1 Malonic acid PDB code: 6hjb(A).
		9. Ligand: RKE × 1 (R)-Ketamine PDB code: 4f8h(A).
_Cs		10. Metal: _CS × 1 PDB code: 4ila(A).

Cluster 5 contains 9 ligand types

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Ligand		Description
		1. Ligand: PPI × 1 propanoic acid Propanoic acid PDB code: 6hpp(A).
		2. Ligand: SIN × 1 succinic acid Succinic acid PDB code: 6hjz(A).
		3. Ligand: ACT × 46 Acetate ion PDB codes: 4hfb(A), 4hfc(A), 4hfd(A), 4hfe(A), 4hfh(A), 4hfi(A), 4il4(A), 4il9(A), 4ila(A), 4ilb(A), 4ilc(A), 4ire(A), 4x5t(A), 4zzc(A), 5iux(A), 5j0z(A), 5mur(A), 5mvm(A), 5mvn(A), 5mzq(A), 5mzr(A), 5mzt(A), 5osa(A), 5osb(A), 5osc(A), 6f0i(A), 6f0j(A), 6f0m(A), 6f0n(A), 6f0r(A), 6f0u(A), 6f0v(A), 6f0z(A), 6f10(A), 6f11(A), 6f12(A), 6f13(A), 6f15(A), 6f16(A), 6hy5(A), 6hyv(A), 6hyw(A), 6hyz(A), 6hz0(A), 6hz1(A), 6hzw(A).
		4. Ligand: BEO × 1 Butenoic acid PDB code: 6hji(A).
		5. Ligand: BXA × 1 Bromoacetic acid PDB code: 4qh1(A).
		6. Ligand: FUM × 1 Fumaric acid PDB code: 6hj3(A).
		7. Ligand: GUA × 1 Glutaric acid PDB code: 6hja(A).
		8. Ligand: MLA × 1 Malonic acid PDB code: 6hjb(A).
		9. Ligand: RKE × 1 (R)-Ketamine PDB code: 4f8h(A).

Cluster 6 contains 6 ligand types

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Ligand		Description
		1. Ligand: ACY × 3 acetic acid Acetic acid PDB codes: 3igq(A),
		2. Ligand: PPI × 1 propanoic acid Propanoic acid PDB code: 6hpp(A).
		3. Ligand: SIN × 1 succinic acid Succinic acid PDB code: 6hjz(A).
		4. Ligand: ACT × 44 Acetate ion PDB codes: 4hfb(A), 4hfd(A), 4hfe(A), 4hfh(A), 4hfi(A), 4il4(A), 4il9(A), 4ila(A), 4ilb(A), 4ilc(A), 4qh4(A), 4zzb(A), 4zzc(A), 5iux(A), 5l47(A), 5muo(A), 5mur(A), 5mvm(A), 5mvn(A), 5mzq(A), 5mzr(A), 5mzt(A), 5osa(A), 6f0i(A), 6f0j(A), 6f0m(A), 6f0n(A), 6f0r(A), 6f0u(A), 6f0v(A), 6f0z(A), 6f10(A), 6f11(A), 6f12(A), 6f13(A), 6f15(A), 6f16(A), 6hy5(A), 6hyv(A), 6hyw(A), 6hyz(A), 6hz0(A), 6hz1(A), 6hzw(A).
		5. Ligand: BXA × 1 Bromoacetic acid PDB code: 4qh1(A).
		6. Ligand: OXL × 1 Oxalate ion PDB code: 4ire(A).