Ligand clusters for UniProt code Q9HYN5

Ligand clusters for Q9HYN5: Fucose-binding lectin PA-IIL from Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)

		6 ligand clusters Cluster 1. 32 ligand types 68 ligands Cluster 2. 17 ligand types 36 ligands Cluster 3. 2 ligand types 2 ligands Cluster 4. 1 ligand type 8 ligands Cluster 5. 1 ligand type 3 ligands Cluster 6. 1 ligand type 1 ligand
Representative protein: 1gztA

Structures

PDB		Schematic diagram
1gztA
2vudA
5a3oA
5d2aA
6s5sA
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Cluster 1 contains 32 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: LYS × 2 l-lysine PDB codes: 6s5p(A), 6s7g(A).
		2. Ligand: GLY × 1 glycine PDB code: 5nf0(A).
		3. Ligand: ZDC × 21 3,7-Anhydro-2,8-Dideoxy-L-Glycero-D-Gluco-Octonic acid PDB codes: 5d2a(A), 5i8m(A), 5i8x(A), 5nes(A), 5ney(A), 5nf0(A), 5ngq(A), 6q6w(A), 6q6x(A), 6q77(A), 6q79(A), 6q85(A), 6q86(A), 6q87(A), 6q8d(A), 6q8g(A), 6q8h(A), 6s5p(A), 6s5r(A), 6s5s(A), 6s7g(A).
		4. Ligand: FUC × 10 Alpha-L-Fucopyranose PDB codes: 1gzt(A), 1oxc(A), 1uzv(A), 2jdh(A), 2jdk(A), 2jdm(A), 2jdn(A), 2vuc(A), 2vud(A), 4ce8(A).
_Ca		5. Metal: _CA × 4 PDB codes: 1oux(A), 3dcq(A),
		6. Ligand: DLE-DLY-DAL-DLE-DLY-DLY-DLE-DAL × 2 DLE=D-Leucine, DLY=D-Lysine, DAL=D-Alanine. PDB codes: 6q77(A), 6q8d(A).
		7. Ligand: DLY-DTY-DLY-DLY-DAL-DLE-DLY-DLY-DLE-DAL-DLY-DLE-DLE × 2 DLY=D-Lysine, DTY=D-Tyrosine, DAL=D-Alanine, DLE=D-Leucine. PDB codes: 6q79(A), 6q86(A).
		8. Ligand: SO4 × 2 Sulfate ion PDB codes: 1oux(A), 2jdu(A).
		9. Ligand: 2G0 × 1 (2s)-1-[(2s)-6-Amino-2-({[(2s,3s,4r,5s,6s)-3,4,5- Trihydroxy-6-Methyltetrahydro-2h-Pyran-2- Yl]acetyl}amino)hexanoyl]-N-[(1s)-1-Carbamoyl-3- Methylbutyl]pyrrolidine-2-Carboxamide PDB code: 3dcq(A).
		10. Ligand: 61J × 1 (6s)-2,6-Anhydro-1-Deoxy-6-(2-{[(S)-Hydroxy(oxido)- Lambda~5~-Phosphanyl]oxy}ethyl)-D-Galactitol PDB code: 5hch(A).
		11. Ligand: ALA-PRO-ALA × 1 PDB code: 5d2a(A).
		12. Ligand: ALA-PRO-ALA-LYS-PHE-CYS × 1 PDB code: 5d2a(A).
		13. Ligand: ARW × 1 Methyl beta-D-Arabinopyranoside PDB code: 2boj(A).
		14. Ligand: BDF × 1 Beta-D-Fructopyranose PDB code: 1ovp(A).
		15. Ligand: BGC-GAL-NAG-FUC × 1 BGC=Beta-D-Glucopyranose, GAL=Beta-D-Galactopyranose, NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, FUC=Alpha-L-Fucopyranose. PDB code: 1w8f(A).
		16. Ligand: DLE-DLE-DLY-DAL-DLE-DLY-DLY-DLE-DAL-DLY-DLY-DTY × 1 DLE=D-Leucine, DLY=D-Lysine, DAL=D-Alanine, DTY=D-Tyrosine. PDB code: 6q85(A).
		17. Ligand: DLE-DLE-DLY-DAL-DLE-DLY-DLY-DLE-DAL-DLY-DLY-DTY-DLY × 1 DLE=D-Leucine, DLY=D-Lysine, DAL=D-Alanine, DTY=D-Tyrosine. PDB code: 6q87(A).
		18. Ligand: DLE-DLY-DAL-DLE-DLY-DLY-DLE-DAL-DLY-DLY-DTY-DLY × 1 DLE=D-Leucine, DLY=D-Lysine, DAL=D-Alanine, DTY=D-Tyrosine. PDB code: 6q8h(A).
		19. Ligand: DLS-LYS-CYS-LYS-LEU-CYS-LEU-LYS-NH2 × 1 DLS=Di-Acetyl-Lysine, NH2=Amino group. PDB code: 5i8m(A).
		20. Ligand: DLY-DLY-DAL-DLE-DLY-DLY-DLE-DAL-DLY-DLE-DLE × 1 DLY=D-Lysine, DAL=D-Alanine, DLE=D-Leucine. PDB code: 6q8g(A).
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Cluster 2 contains 17 ligand types

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Ligand		Description
		1. Ligand: ZDC × 14 3,7-Anhydro-2,8-Dideoxy-L-Glycero-D-Gluco-Octonic acid PDB codes: 5d2a(A), 5i8m(A), 5i8x(A), 5nes(A), 5ney(A), 5nf0(A), 5ngq(A), 6q6x(A), 6q79(A), 6q85(A), 6q8g(A), 6s5p(A), 6s5r(A), 6s7g(A).
		2. Ligand: FUC × 4 Alpha-L-Fucopyranose PDB codes: 1gzt(A), 1oxc(A), 1uzv(A), 4ce8(A).
		3. Ligand: MMA × 2 Methyl alpha-D-Mannopyranoside PDB codes: 2jdn(A), 2jdy(A).
		4. Ligand: NAG-FUC × 2 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, FUC=Alpha-L-Fucopyranose. PDB codes: 2jdh(A), 2jdk(A).
_Ca		5. Metal: _CA × 2 PDB codes: 1oux(A), 3dcq(A).
		6. Ligand: 2G0 × 1 (2s)-1-[(2s)-6-Amino-2-({[(2s,3s,4r,5s,6s)-3,4,5- Trihydroxy-6-Methyltetrahydro-2h-Pyran-2- Yl]acetyl}amino)hexanoyl]-N-[(1s)-1-Carbamoyl-3- Methylbutyl]pyrrolidine-2-Carboxamide PDB code: 3dcq(A).
		7. Ligand: ARW × 1 Methyl beta-D-Arabinopyranoside PDB code: 2boj(A).
		8. Ligand: BGC-FUC-GAL × 1 BGC=Beta-D-Glucopyranose, GAL=Beta-D-Galactopyranose, FUC=Alpha-L-Fucopyranose. PDB code: 1w8f(A).
		9. Ligand: GXL × 1 Alpha-L-Galactopyranose PDB code: 2bp6(A).
		10. Ligand: LZ0 × 1 [1-(2-Oxoethyl)-1h-1,2,3-Triazol-5-Yl]methyl 6-Deoxy- Alpha-L-Galactopyranoside PDB code: 2vud(A).
		11. Ligand: MAN-MAN × 1 MAN=Alpha-D-Mannopyranose. PDB code: 1ovs(A).
		12. Ligand: MFU × 1 Methyl alpha-L-Fucopyranoside PDB code: 2jdm(A).
		13. Ligand: MMA-DH6 × 1 MMA=Methyl alpha-D-Mannopyranoside, DH6=Cinnamide. PDB code: 5a3o(A).
		14. Ligand: MMA-F1A × 1 MMA=Methyl alpha-D-Mannopyranoside, F1A=2,4,6-Trimethylbenzenesulfonamide. PDB code: 3zdv(A).
		15. Ligand: NAG-FUC-GAL × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, FUC=Alpha-L-Fucopyranose, GAL=Beta-D-Galactopyranose. PDB code: 6r35(D).
		16. Ligand: NDG-NAG-GAL-FUC × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, GAL=Beta-D-Galactopyranose, NDG=2-Acetamido-2-Deoxy-Alpha-D-Glucopyranose, FUC=Alpha-L-Fucopyranose. PDB code: 1w8h(A).
		17. Ligand: YX0 × 1 [(3e)-3-(1-Hydroxyethylidene)-2,3-Dihydroisoxazol-5- Yl]methyl alpha-L-Fucopyranoside PDB code: 2vuc(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 2jdu(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 1w8h(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 8 Sulfate ion PDB codes: 1oxc(A), 1uzv(A), 2bp6(A), 2jdm(A), 2jdn(A), 2vud(A), 4ce8(A), 6r35(D).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 3 Sulfate ion PDB codes: 1w8f(A), 2jdu(A), 4ce8(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6r35(D).