Ligand clusters for UniProt code P14174

Ligand clusters for P14174: Macrophage migration inhibitory factor from Homo sapiens

		Top 6 (of 23) ligand clusters Cluster 1. 51 ligand types 195 ligands Cluster 2. 40 ligand types 75 ligands Cluster 3. 3 ligand types 20 ligands Cluster 4. 3 ligand types 14 ligands Cluster 5. 3 ligand types 16 ligands Cluster 6. 2 ligand types 3 ligands
Representative protein: 1gczA

Structures

PDB		Schematic diagram
1gczA
4grpA
4grrA
4grnA
4grqA
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Cluster 1 contains 51 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: ENO × 1 3-(4-Hydroxy-Phenyl)pyruvic acid PDB code: 1ca7(A).
		2. Ligand: GOL × 39 glycerin Glycerol PDB codes: 2oow(A), 2ooz(A), 3b9s(A), 3djh(A), 3l5p(A), 3l5v(A), 3u18(A), 3wnr(A), 4oyq(A), 4pkk(A), 4trf(A), 4tru(A), 4xx8(A), 4z1u(A), 5bs9(A), 5bsi(A), 5bsj(A), 5eiz(A), 5hvt(A), 5umk(A), 5v70(A), 5v73(A), 6bg6(A), 6cbg(A), 6cbh(A), 6oy8(A), 6oyb(A), 6oye(A), 6oyg(A), 6peg(D).
		3. Ligand: IPA × 26 isopropyl alcohol Isopropyl alcohol PDB codes: 2ooz(A), 3djh(A), 3u18(A), 4f2k(A), 4p01(A), 4pkz(A), 4tru(A), 4xx7(A), 4z15(A), 4z1t(A), 5bs9(A), 5bsc(A), 5eiz(A), 5j7p(A), 5umj(A), 5umk(A), 6bg6(A), 6bg7(A), 6cbh(A), 6oy8(A).
		4. Ligand: 6UV × 2 methotrexate (2~{r})-2-[[4-[[2,4-Bis(azanyl)pteridin-6-Yl]methyl- Methyl- Amino]phenyl]carbonylamino]pentanedioic acid PDB codes: 5cg4(A), 5xej(A).
		5. Ligand: YZ9 × 1 7-Hydroxy-2-Oxo-Chromene-3-Carboxylic acid ethyl ester PDB code: 1gcz(A).
		6. Ligand: HDI × 1 3-(4-Hydroxyphenyl)-4,5-Dihydro-5-Isoxazole-Acetic acid methyl ester PDB code: 1ljt(A).
		7. Ligand: OX5 × 1 4-Hydroxybenzaldehyde o-(3,3-Dimethylbutanoyl)oxime PDB code: 2ooz(A).
		8. Ligand: OX4 × 1 3-Fluoro-4-Hydroxybenzaldehyde o-(Cyclohexylcarbonyl) oxime PDB code: 2oow(A).
		9. Ligand: SO4 × 70 Sulfate ion PDB codes: 1gcz(A), 1gd0(A), 2ooh(A), 2oow(A), 2ooz(A), 3ce4(A), 3djh(A), 3l5u(A), 3wnr(A), 3wns(A), 3wnt(A), 4etg(A), 4eui(A), 4evg(A), 4grn(A), 4grp(A), 4grr(A), 4osf(A), 4oyq(A), 4pkk(A), 4plu(A), 4trf(A), 4tru(A), 4wr8(A), 4wrb(A), 4xx7(A), 4xx8(A), 4z15(A), 4z1t(A), 4z1u(A), 5b4o(A), 5bs9(A), 5bsi(A), 5bsj(A), 5eiz(A), 5hvs(A), 5hvt(A), 5hvv(A), 5j7p(A), 5j7q(A), 5umj(A), 5umk(A), 5uzy(A), 5v70(A), 5v73(A), 6b1c(A), 6b1k(A), 6b2c(A), 6bg6(A), 6bg7(A), 6cbf(A), 6cbg(A), 6cbh(A), 6fvh(A), 6oy8(A), 6oyb(A), 6oye(A), 6oyg(A), 6peg(D).
_Cl		10. Metal: _CL × 8 PDB codes: 3ijg(A), 3ijj(A), 3smb(A), 4grq(A), 4grr(A), 4gru(A), 4k9g(A), 4osf(A).
		11. Ligand: 9BE × 2 N-Benzylthioformamide PDB codes: 3wnr(A), 3wnt(A).
		12. Ligand: ACT × 2 Acetate ion PDB codes: 6peg(D),
		13. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 3u18(A), 5b4o(A).
		14. Ligand: ENO × 1 3-(4-Hydroxy-Phenyl)pyruvic acid PDB code: 3ijj(A).
		15. Ligand: LE2 × 2 N-(2-Phenylethyl)thioformamide PDB codes: 3smb(A), 4f2k(A).
		16. Ligand: 0FI × 1 N-Phenylthioformamide PDB code: 6fvh(A).
		17. Ligand: 0IN × 1 7-(Pyridin-3-Ylmethyl)quinolin-8-Ol PDB code: 3jsg(A).
		18. Ligand: 1Q1 × 1 1-[(5s)-3-(3-Fluoro-4-Hydroxyphenyl)-4,5-Dihydro-1,2- Oxazol-5-Yl]propan-2-One PDB code: 4k9g(A).
		19. Ligand: 1Q2 × 1 (4r,6z)-6-(3-Fluoro-4-Hydroxyphenyl)-4-Hydroxy-6- Iminohexan-2-One PDB code: 4k9g(A).
		20. Ligand: 1X2 × 1 6-Isothiocyanatohexylbenzene PDB code: 4oyq(A).
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Cluster 2 contains 40 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: ENO × 1 3-(4-Hydroxy-Phenyl)pyruvic acid PDB code: 1ca7(A).
		2. Ligand: GOL × 29 glycerin Glycerol PDB codes: 2ooh(A), 2oow(A), 2ooz(A), 3l5p(A), 3l5r(A), 3l5v(A), 3u18(A), 3wns(A), 4tru(A), 4wrb(A), 4xx8(A), 5bsi(A), 5bsj(A), 5eiz(A), 5j7q(A), 5umk(A), 5v70(A), 5v73(A), 6b1k(A), 6bg6(A), 6bg7(A), 6cbg(A), 6cbh(A), 6oy8(A), 6oyb(A), 6oye(A), 6oyg(A), 6peg(D).
		3. Ligand: IPA × 6 isopropyl alcohol Isopropyl alcohol PDB codes: 4pkk(A), 4pkz(A), 4xx7(A), 5bs9(A), 5umj(A), 5uzy(A).
		4. Ligand: YZ9 × 1 7-Hydroxy-2-Oxo-Chromene-3-Carboxylic acid ethyl ester PDB code: 1gcz(A).
		5. Ligand: HDI × 1 3-(4-Hydroxyphenyl)-4,5-Dihydro-5-Isoxazole-Acetic acid methyl ester PDB code: 1ljt(A).
		6. Ligand: OX3 × 1 4-Hydroxybenzaldehyde o-(Cyclohexylcarbonyl)oxime PDB code: 2ooh(A).
		7. Ligand: OX4 × 1 3-Fluoro-4-Hydroxybenzaldehyde o-(Cyclohexylcarbonyl) oxime PDB code: 2oow(A).
		8. Ligand: 9BE × 2 N-Benzylthioformamide PDB codes: 3wnr(A), 3wnt(A).
		9. Ligand: ENO × 1 3-(4-Hydroxy-Phenyl)pyruvic acid PDB code: 3ijj(A).
		10. Ligand: LE2 × 2 N-(2-Phenylethyl)thioformamide PDB codes: 3smb(A), 4f2k(A).
		11. Ligand: 0FI × 1 N-Phenylthioformamide PDB code: 6fvh(A).
		12. Ligand: 0IN × 1 7-(Pyridin-3-Ylmethyl)quinolin-8-Ol PDB code: 3jsg(A).
		13. Ligand: 1Q2 × 1 (4r,6z)-6-(3-Fluoro-4-Hydroxyphenyl)-4-Hydroxy-6- Iminohexan-2-One PDB code: 4k9g(A).
		14. Ligand: 1X2 × 1 6-Isothiocyanatohexylbenzene PDB code: 4oyq(A).
		15. Ligand: 1ZW × 1 N-[(4-Cyanophenyl)methyl]methanethioamide PDB code: 4p01(A).
		16. Ligand: 31E × 1 (Z)-[(Furan-2-Ylmethyl)imino]methanethiol PDB code: 4pkk(A).
		17. Ligand: 35J × 1 N-(Pyridin-3-Ylmethyl)thioformamide PDB code: 4trf(A).
		18. Ligand: 3E1 × 1 N,N'-(6,6'-Dihydroxybiphenyl-3,3'-Diyl)diacetamide PDB code: 3dji(A).
		19. Ligand: 4MT × 1 N-[2-(4-Hydroxyphenyl)ethyl]thioformamide PDB code: 4osf(A).
		20. Ligand: 65V × 1 3-({2-[1-(3-Fluoro-4-Hydroxyphenyl)-1h-1,2,3-Triazol-4- Yl]quinolin-5-Yl}oxy)benzoic acid PDB code: 5hvs(A).
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Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: CIT × 4 citric acid Citric acid PDB codes: 1gcz(A), 1gd0(A),
		2. Ligand: SO4 × 15 Sulfate ion PDB codes: 2ooh(A), 3djh(A), 4grp(A), 4gru(A), 4osf(A), 4z1t(A), 5b4o(A), 5cg4(A), 5hvt(A), 5j7q(A), 5xej(A), 6cb5(A), 6cbf(A), 6cbh(A), 6peg(D).
_Na		3. Metal: _NA × 1 PDB code: 3u18(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 4 glycerin Glycerol PDB codes: 3u18(A), 3wns(A), 4oyq(A), 6oyb(A).
		2. Ligand: SO4 × 8 Sulfate ion PDB codes: 4pkk(A), 4pkz(A), 4wr8(A), 4z1u(A), 5cg4(A), 5j7p(A), 5xej(A), 6bg7(A).
_Cl		3. Metal: _CL × 2 PDB codes: 3ijg(A), 4grr(A).

Cluster 5 contains 3 ligand types

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Ligand		Description
		1. Ligand: IPA × 5 isopropyl alcohol Isopropyl alcohol PDB codes: 4plu(A), 4trf(A), 4wrb(A), 5bsj(A), 5hvt(A).
		2. Ligand: SO4 × 8 Sulfate ion PDB codes: 2ooh(A), 3ce4(A), 3l5v(A), 3wnr(A), 4osf(A), 5b4o(A), 5hvs(A), 5j7p(A).
_Cl		3. Metal: _CL × 3 PDB codes: 3ijg(A), 3ijj(A), 3smb(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: IPA × 2 isopropyl alcohol Isopropyl alcohol PDB codes: 3wns(A), 5bs9(A).
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 4wrb(A).