Ligand clusters for UniProt code P0AEX9

Ligand clusters for P0AEX9: Maltose/maltodextrin-binding periplasmic protein from Escherichia coli (strain K12)

		Top 6 (of 73) ligand clusters Cluster 1. 71 ligand types 477 ligands Cluster 2. 2 ligand types 2 ligands Cluster 3. 14 ligand types 58 ligands Cluster 4. 13 ligand types 59 ligands Cluster 5. 11 ligand types 27 ligands Cluster 6. 7 ligand types 15 ligands
Representative protein: 6vlsA

Structures

PDB		Schematic diagram
6vlsA
3dm0A
4qvhA
3h4zA
4h1gA
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Cluster 1 contains 71 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
_Zn		1. Metal: _ZN × 43 PDB codes: 1zjl(A), 3ef7(A), 3hpi(A), 3ior(A), 3iot(C), 3iou(A), 3iov(A), 3iow(A), 3py7(A), 3seu(A), 3sev(A), 3sey(A), 3vfj(A), 4fe8(A), 4fec(A), 4fed(A), 4wth(A), 6slm(A), 6sqc(A).
		2. Ligand: GOL × 19 glycerin Glycerol PDB codes: 3g7w(A), 3lc8(A), 3mp8(A), 3q25(A), 3q26(A), 3q29(A), 3seu(A), 4qvh(A), 5cfv(A), 5dfm(A), 5ihj(A), 6d65(A).
		3. Ligand: GLC × 3 d-glucose Alpha-D-Glucopyranose PDB codes: 1hsj(A), 4qsz(A).
		4. Ligand: NAG × 3 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 3vfj(A), 5iic(A),
		5. Ligand: IPA × 2 isopropyl alcohol Isopropyl alcohol PDB codes: 3rum(A),
		6. Ligand: RAP × 2 sirolimus Rapamycin immunosuppressant drug PDB codes: 6m4v(A), 6m4w(A).
		7. Ligand: ACY × 1 acetic acid Acetic acid PDB code: 3mp8(A).
		8. Ligand: BO3 × 1 boric acid Boric acid PDB code: 4kyc(A).
		9. Ligand: GLY × 1 glycine PDB code: 6d66(A).
_Mg		10. Metal: _MG × 1 PDB code: 3w15(C).
_Mn		11. Metal: _MN × 1 PDB code: 3csb(A).
		12. Ligand: GLC-GLC × 134 GLC=Alpha-D-Glucopyranose. PDB codes: 1a7l(A), 1anf(A), 1iud(A), 1jvx(A), 1jvy(A), 1jw5(A), 1lax(A), 1mdp(1), 1mdq(A), 1mg1(A), 1mpd(A), 1n3w(A), 1nl5(A), 1r6z(P), 1y4c(A), 1ytv(A), 2ok2(A), 2xz3(A), 2zxt(A), 3a3c(A), 3c4m(A), 3d4c(A), 3d4g(A), 3dm0(A), 3ef7(A), 3ehs(A), 3eht(A), 3ehu(A), 3g7v(A), 3h3g(A), 3h4z(A), 3l2j(A), 3lbs(A), 3mp1(A), 3mp6(A), 3mp8(A), 3n94(A), 3oai(A), 3pgf(A), 3puz(E), 3pv0(E), 3q25(A), 3q26(A), 3q27(A), 3q28(A), 3q29(A), 3rum(A), 3ser(A), 3ses(A), 3set(A), 3seu(A), 3sev(A), 3sew(A), 3sex(A), 3sey(A), 4b3n(A), 4egc(A), 4ifp(A), 4ikm(A), 4jbz(A), 4kv3(A), 4kyc(A), 4kyd(A), 4kye(A), 4ndz(B), 4nuf(A), 4ogm(A), 4pe2(A), 4qvh(A), 4rg5(A), 4rwf(A), 4rwg(A), 4wjv(E), 4wms(A), 4wmt(A), 4wmu(A), 4wmv(A), 4wmw(A), 4wmx(A), 4wth(A), 4wvh(A), 4xaj(A), 4xhs(A), 4xr8(A), 4xzs(A), 4xzv(A), 5az6(B), 5az7(A), 5az8(A), 5b3w(A), 5b3x(A), 5b3y(A), 5bk2(B), 5cfv(A), 5dfm(A), 5e7u(A), 5h7q(A), 5i69(A), 5ii5(A), 5iic(A), 5iqz(A), 5jst(A), 5mm3(A), 5osq(A), 5wpz(A), 5wq6(A), 5ygp(A), 5z0r(A), 5z0v(A), 5zca(A), 6d67(A), 6dm8(A), 6eqz(A), 6i4y(A), 6k7f(A), 6m4w(A), 6n84(A), 6ob5(B), 6qug(A), 6qyk(A), 6qyl(A), 6qyn(A), 6qyo(A), 6qz7(A), 6slm(A), 6sqc(A), 6tzc(A), 6v2e(A), 6wbh(A), 6wbj(A), 6xrx(A), 6zho(A), 7jtr(A).
		13. Ligand: SO4 × 93 Sulfate ion PDB codes: 2vgq(A), 3g7v(A), 3g7w(A), 3mp8(A), 3n94(A), 3ob4(A), 3q25(A), 3q26(A), 3q27(A), 3q28(A), 3q29(A), 3rum(A), 4rg5(A), 5c7r(A), 5dfm(A), 5e7u(A), 5i69(A), 5wvm(A), 5wvn(A), 5yev(A), 5ygp(A), 5ygs(A), 5zny(A), 5znz(A), 6apx(A), 6d65(A), 6ki0(A), 6n84(A),
		14. Ligand: EDO × 53 1,2-Ethanediol PDB codes: 3dm0(A), 3hst(A), 4ikm(A), 4rwf(A), 4wms(A), 4wmu(A), 4wmw(A), 5e24(A), 5h7n(A), 5t03(A), 5t05(A), 5t0a(A), 5wq6(A), 6d66(A), 6d67(A).
		15. Ligand: GLC-GLC-GLC-GLC × 16 GLC=Alpha-D-Glucopyranose. PDB codes: 1nmu(A), 1t0k(A), 2vgq(A), 4exk(A), 4h1g(A), 4irl(A), 4khz(E), 4mbp(A), 4tsm(A), 5e24(A), 5fsg(A), 5h7n(A), 5t03(A), 5t05(A), 5t0a(A), 6smv(A).
		16. Ligand: GLC-GLC-GLC × 15 GLC=Alpha-D-Glucopyranose. PDB codes: 3g7w(A), 3hst(A), 3mbp(A), 3o3u(N), 3ob4(A), 3py7(A), 4edq(A), 4pqk(A), 4xa2(A), 5c7r(A), 5ihj(A), 5ttd(A), 5ygs(A), 6ki0(A).
_Ca		17. Metal: _CA × 5 PDB codes: 3io6(A), 3iot(A), 3iow(A),
		18. Ligand: 6AK × 4 4-{8-Chloro-11-[3-(4-Chloro-3,5-Dimethylphenoxy) propyl]-1-Oxo-7-(1,3,5-Trimethyl-1h-Pyrazol-4-Yl)- 4,5- Dihydro-1h-[1,4]diazepino[1,2-A]indol-2(3h)-Yl}-1- Methyl-1h-Indole-6-Carboxylic acid PDB codes: 6dm8(A),
		19. Ligand: ACT × 4 Acetate ion PDB codes: 3mp1(A), 3seu(A), 3sey(A), 3vfj(A).
		20. Ligand: NO3 × 4 Nitrate ion PDB codes: 3w15(C),
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Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: RAP × 1 sirolimus Rapamycin immunosuppressant drug PDB code: 6m4w(A).
		2. Ligand: BDP-GNS-IDR-GNS-BDP-NDG-BDP × 1 BDP=Beta-D-Glucopyranuronic acid, GNS=2-Deoxy-2-(Sulfoamino)-Alpha-D-Glucopyranose, IDR=Alpha-L-Idopyranuronic acid, NDG=2-Acetamido-2-Deoxy-Alpha-D-Glucopyranose. PDB code: 4ndz(B).

Cluster 3 contains 14 ligand types

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Ligand		Description
		1. Ligand: GOL × 14 glycerin Glycerol PDB codes: 3g7v(A), 3mp8(A), 3q25(A), 3q26(A), 3q27(A), 3sew(A), 3sey(A), 5cfv(A), 6apx(A), 6slm(A), 6wbj(A).
		2. Ligand: GLY × 1 glycine PDB code: 6d66(A).
_Zn		3. Metal: _ZN × 1 PDB code: 4wth(A).
		4. Ligand: EDO × 26 1,2-Ethanediol PDB codes: 2xz3(A), 3csb(A), 4ikm(A), 4kyc(A), 4wmt(A), 4wmu(A), 4wmw(A), 5e24(A), 5h7n(A), 5m13(A), 5t03(A), 5t05(A), 5t0a(A), 5wq6(A), 6d66(A), 6xrx(A).
		5. Ligand: ACT × 4 Acetate ion PDB codes: 3seu(A), 5h7q(A), 5jst(A).
		6. Ligand: PGE × 3 Triethylene glycol PDB codes: 4exk(A), 5ii5(A), 6d66(A).
_Ca		7. Metal: _CA × 2 PDB codes: 3iot(C),
		8. Ligand: 4BZ × 1 4-(Hydroxymethyl)benzamidine PDB code: 3mp8(A).
		9. Ligand: 6AK × 1 4-{8-Chloro-11-[3-(4-Chloro-3,5-Dimethylphenoxy) propyl]-1-Oxo-7-(1,3,5-Trimethyl-1h-Pyrazol-4-Yl)- 4,5- Dihydro-1h-[1,4]diazepino[1,2-A]indol-2(3h)-Yl}-1- Methyl-1h-Indole-6-Carboxylic acid PDB code: 6dm8(A).
		10. Ligand: MPO × 1 3[n-Morpholino]propane sulfonic acid PDB code: 4kyd(A).
		11. Ligand: NO3 × 1 Nitrate ion PDB code: 3w15(C).
		12. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 3csb(A).
		13. Ligand: PG4 × 1 Tetraethylene glycol PDB code: 6d66(A).
		14. Ligand: SO4 × 1 Sulfate ion PDB code: 4rg5(A).

Cluster 4 contains 13 ligand types

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Ligand		Description
		1. Ligand: GOL × 6 glycerin Glycerol PDB codes: 3mp8(A), 3q26(A), 3sew(A),
_Mg		2. Metal: _MG × 3 PDB codes: 3lc8(A), 5gxt(A), 5gxv(A).
_Zn		3. Metal: _ZN × 3 PDB codes: 3seu(A), 3sey(A), 3vfj(A).
		4. Ligand: CIT × 1 citric acid Citric acid PDB code: 5zca(A).
		5. Ligand: SO4 × 12 Sulfate ion PDB codes: 3g7w(A), 3mp8(A), 3q25(A), 3q28(A), 3q29(A), 3rum(A), 4rg5(A), 5e7u(A), 5ygp(A), 6wbj(A).
		6. Ligand: EDO × 10 1,2-Ethanediol PDB codes: 2xz3(A), 4h1g(A), 4irl(A), 4xa2(A), 5e24(A),
_Ca		7. Metal: _CA × 7 PDB codes: 3io6(A), 3iot(C), 3iov(A), 3iow(A),
		8. Ligand: PEG × 6 Di(hydroxyethyl)ether PDB codes: 3csb(A), 3ehu(A), 4n4x(A), 4xr8(A), 6d66(A), 6d67(A).
		9. Ligand: UMQ × 5 Undecyl-Maltoside PDB codes: 3puv(E), 3puw(E), 3pux(E), 3rlf(E), 4ki0(E).
		10. Ligand: ACT × 3 Acetate ion PDB codes: 3seu(A), 3vfj(A).
		11. Ligand: BOG × 1 Octyl beta-D-Glucopyranoside PDB code: 4keg(A).
		12. Ligand: PGE × 1 Triethylene glycol PDB code: 6d66(A).
		13. Ligand: TMO × 1 Trimethylamine oxide PDB code: 4tsm(A).

Cluster 5 contains 11 ligand types

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Ligand		Description
_Zn		1. Metal: _ZN × 11 PDB codes: 1nl5(A), 3ef7(A), 3hpi(A), 3io6(A), 3ior(B), 3iot(C), 3iou(A), 3seu(A), 3sey(A), 3vfj(A), 4wth(A).
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 6d65(A).
		3. Ligand: EDO × 5 1,2-Ethanediol PDB codes: 5e24(A), 5wq6(A).
		4. Ligand: ACT × 3 Acetate ion PDB codes: 3hpi(A), 3sey(A),
		5. Ligand: FPP × 1 Farnesyl diphosphate PDB code: 6ob5(B).
		6. Ligand: MPO × 1 3[n-Morpholino]propane sulfonic acid PDB code: 4kyd(A).
		7. Ligand: MXT × 1 1-(1-Hydroxy-2,2,6,6-Tetramethylpiperidin-4- Yl)pyrrolidine-2,5-Dione PDB code: 2v93(A).
		8. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 3csb(A).
		9. Ligand: PG4 × 1 Tetraethylene glycol PDB code: 6zho(A).
		10. Ligand: PGE × 1 Triethylene glycol PDB code: 5ii5(A).
		11. Ligand: SO4 × 1 Sulfate ion PDB code: 2ok2(A).

Cluster 6 contains 7 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3sew(A).
_Zn		2. Metal: _ZN × 1 PDB code: 1zjl(A).
		3. Ligand: EDO × 4 1,2-Ethanediol PDB codes: 5e24(A), 5h7n(A), 6sqc(A).
		4. Ligand: SO4 × 4 Sulfate ion PDB codes: 3g7w(A), 3mp8(A), 3rum(A), 4rg5(A).
		5. Ligand: TLA × 3 L(+)-Tartaric acid PDB codes: 5t03(A), 5t05(A), 5t0a(A).
		6. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 3csb(A).
		7. Ligand: TMO × 1 Trimethylamine oxide PDB code: 4tsm(A).