Ligand clusters for UniProt code P80188

Ligand clusters for P80188: Neutrophil gelatinase-associated lipocalin from Homo sapiens

		Top 6 (of 24) ligand clusters Cluster 1. 35 ligand types 78 ligands Cluster 2. 3 ligand types 5 ligands Cluster 3. 2 ligand types 14 ligands Cluster 4. 2 ligand types 20 ligands Cluster 5. 2 ligand types 6 ligands Cluster 6. 2 ligand types 3 ligands
Representative protein: 6qmuA

Structures

PDB		Schematic diagram
6qmuA
3hwgA
3cmpA
3fw5B
4k19A
		more ...

Cluster 1 contains 35 ligand types (of which only 20 are listed. Click for all)

Use checkboxes to select ligands to display in RasMol, Jmol, or download as an SDF file. Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: LOC × 1 colchicine N-[(7s)-1,2,3,10-Tetramethoxy-9-Oxo-6,7-Dihydro-5h- Benzo[d]heptalen-7-Yl]ethanamide PDB code: 5nkn(A).
_Fe		2. Metal: _FE × 1 PDB code: 3fw4(A).
		3. Ligand: SO4 × 12 Sulfate ion PDB codes: 1dfv(A), 3cmp(A), 3hwf(A), 3hwg(A), 3tf6(A), 3tzs(A), 4k19(A), 4zhf(A), 4zhg(A), 5mhh(A), 6o5d(A).
		4. Ligand: DBH × 11 2,3-Dihydroxy-Benzoic acid PDB codes: 1l6m(A), 3by0(A), 3i0a(B), 3k3l(A), 3tf6(A), 3u0d(A),
_Cl		5. Metal: _CL × 8 PDB codes: 3fw4(A), 3tzs(A), 3u0d(A), 4k19(A), 4zhg(A), 4zhh(A), 5kic(A).
		6. Ligand: 4OL × 4 N,N'-Butane-1,4-Diylbis[1-Hydroxy-N-(3-{[(1-Hydroxy-6- Oxo-1,6-Dihydropyridin-2- Yl)carbonyl]amino}propyl)-6- Oxo-1,6-Dihydropyridine-2-Carboxamide] PDB codes: 4zhf(A), 4zhg(A), 4zhh(A), 5kic(A).
		7. Ligand: DBS × 4 2-(2,3-Dihydroxy-Benzoylamino)-3-Hydroxy-Propionic acid PDB codes: 1l6m(A), 3by0(A), 3cbc(A), 3k3l(A).
		8. Ligand: F8W × 3 4-[4-[3-[[3,4-Bis(oxidanyl) phenyl]carbonylamino]propylamino]butylamino]-2-[2-[4- [3-[[3,4- Bis(oxidanyl) phenyl]carbonylamino]propylamino]butylamino]-2- Oxidanylidene-Ethyl]-2-Oxidanyl-4- Oxidanylidene- Butanoic acid PDB codes: 6gr0(A),
		9. Ligand: LIZ × 3 N-{(1s,2s)-2-[Bis(carboxymethyl)amino]cyclohexyl}-N- {(2r)-2-[Bis(carboxymethyl)amino]-3-[4-({[2- Hydroxy-1, 1-Bis(hydroxymethyl)ethyl]carbamothioyl}amino) phenyl]propyl}glycine PDB codes: 3dsz(A), 4iaw(A), 4iax(A).
		10. Ligand: 1OD × 2 (4s,5r)-N,N-Bis{3-[(2,3-Dihydroxybenzoyl)amino]propyl}- 2-(2,3-Dihydroxyphenyl)-5-Methyl-4,5- Dihydro-1,3- Oxazole-4-Carboxamide PDB codes: 4k19(A),
		11. Ligand: DB1 × 2 2,3-Dihydroxybenzamide PDB codes: 1x71(A),
		12. Ligand: MCT × 2 4-Methylcatechol PDB codes: 3fw5(A),
		13. Ligand: RKS × 2 Methyl n~6~-Acetyl-N~2~-[(2,3-Dihydroxyphenyl) carbonyl]-N~6~-Hydroxy-D-Lysyl-N~6~-Acetyl-N~6~- Hydroxy-L-Lysinate PDB codes: 3hwe(A),
_Na		14. Metal: _NA × 2 PDB codes: 3cbc(A), 3k3l(A).
		15. Ligand: 2DS × 1 N-[(2,3-Dihydroxyphenyl)carbonyl]-O-[(2r)-2-{[(2,3- Dihydroxyphenyl)carbonyl]amino}-3- Hydroxypropanoyl]-L- Serine PDB code: 3i0a(A).
		16. Ligand: 3ET × 1 O-[(2r)-2-Amino-3-(D-Seryloxy)propanoyl]-N-[(2,3- Dihydroxyphenyl)carbonyl]-L-Serine PDB code: 3i0a(A).
		17. Ligand: 488 × 1 (2r,4r)-2-[(4r)-2-(2-Hydroxyphenyl)-4,5-Dihydro-1,3- Thiazol-4-Yl]-3-Methyl-1,3-Thiazolidine-4- Carboxylic acid PDB code: 3u03(A).
		18. Ligand: 4OZ × 1 Methyl n-(2,3-Dihydroxybenzoyl)-O-Formyl-L-Serinate PDB code: 4zhd(A).
		19. Ligand: 7K9 × 1 N,N'-(Butane-1,4-Diyl)bis(n-{3-[(2,3-Dihydroxybenzene- 1-Carbonyl)amino]propyl}-2,3- Dihydroxybenzamide) PDB code: 5khp(A).
		20. Ligand: ACE-VAL-PHE-PHE-ALA-GLU-ASP-NH2 × 1 ACE=Acetyl group, NH2=Amino group. PDB code: 4mvk(A).
+ more. Press for full list

Cluster 2 contains 3 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 3pec(A), 6o5d(A).
		2. Ligand: SO4 × 2 Sulfate ion PDB codes: 3tzs(A), 5mhh(A).
		3. Ligand: PHU × 1 1-Phenylurea PDB code: 3tzs(A).

Cluster 3 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 8 glycerin Glycerol PDB codes: 3fw5(A), 3hwe(A), 3hwg(A), 3pec(A), 3t1d(A), 3tf6(A), 4k19(A), 4zhd(A).
		2. Ligand: SO4 × 6 Sulfate ion PDB codes: 3by0(A), 3cbc(A), 3cmp(A), 3i0a(A), 4zhh(A), 6o5d(A).

Cluster 4 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 16 glycerin Glycerol PDB codes: 3by0(A), 3cmp(A), 3fw5(A), 3hwe(A), 3hwg(A), 3k3l(A), 3pec(A), 3tf6(A), 4k19(A), 4zhd(A), 4zhf(A), 4zhg(A), 4zhh(A).
		2. Ligand: SO4 × 4 Sulfate ion PDB codes: 3ped(A), 4zhh(A), 5khp(A), 5kic(A).

Cluster 5 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 4 glycerin Glycerol PDB codes: 3cbc(A), 3fw4(A), 3hwg(A), 3pec(A).
		2. Ligand: SO4 × 2 Sulfate ion PDB codes: 3k3l(A), 5khp(A).

Cluster 6 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3t1d(A).
		2. Ligand: SO4 × 2 Sulfate ion PDB codes: 3hwf(A), 3tzs(A).