Ligand clusters for UniProt code Q05097

Ligand clusters for Q05097: PA-I galactophilic lectin from Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)

		Top 6 (of 7) ligand clusters Cluster 1. 20 ligand types 27 ligands Cluster 2. 3 ligand types 3 ligands Cluster 3. 2 ligand types 2 ligands Cluster 4. 2 ligand types 3 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 1l7lA

Structures

PDB		Schematic diagram
1l7lA
4a6sA
3zybA
6yo3A
4lk7A
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Cluster 1 contains 20 ligand types

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Ligand		Description
		1. Ligand: GAL × 5 galactose Beta-D-Galactopyranose PDB codes: 1oko(A), 4lkd(A), 4lke(A), 4lkf(A), 4yw7(A).
_Ca		2. Metal: _CA × 3 PDB codes: 1l7l(A), 4yw6(A), 4ywa(A).
		3. Ligand: GAL-CN8 × 2 GAL=Beta-D-Galactopyranose, CN8=(4s)-N-Ethyl-4-{[N-Methyl-3-(1-{2-[(4-Sulfanylbenzoyl) amino]ethyl}-1h-1,2,3-Triazol-4-Yl)-L- Alanyl]amino}-L- Prolinamide. PDB codes: 4cp9(A), 4cpb(A).
		4. Ligand: 04G-GAL × 1 04G=7-Hydroxy-3h-Phenoxazin-3-One, GAL=Beta-D-Galactopyranose. PDB code: 4lk7(A).
		5. Ligand: 147 × 1 4-Nitrophenyl beta-D-Galactopyranoside PDB code: 3zyf(A).
		6. Ligand: 4J9 × 1 (2r,3r,4s,5r,6r,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2r,3r,4s, 5s,6s)-3,4-Dihydroxy-6- (Hydroxymethyl)tetrahydro-2h- Pyran-2,5-Diyl]bis{1h-1,2,3-Triazole-1,4-Diyl[(2s,3r, 4s,5s,6s)-3,4- Dihydroxy-6-(Hydroxymethyl)tetrahydro- 2h-Pyran-2,5-Diyl]-1h-1,2,3-Triazole-1,4- Diylmethanediyloxy})bis[6-(Hydroxymethyl)tetrahydro- 2h-Pyran-3,4,5-Triol] PDB code: 4ywa(A).
		7. Ligand: 56N × 1 Phenyl beta-D-Galactopyranoside PDB code: 5d21(A).
		8. Ligand: 7NU × 1 Phenyl 6,7-Anhydro-D-Glycero-Beta-D-Galacto- Heptopyranoside PDB code: 5mih(A).
		9. Ligand: BGC-GAL-GLA × 1 BGC=Beta-D-Glucopyranose, GAL=Beta-D-Galactopyranose, GLA=Alpha-D-Galactopyranose. PDB code: 2vxj(A).
		10. Ligand: G0P × 1 N-[(2s)-6-Amino-1-Oxo-1-(Pyrrolidin-1-Yl)hexan-2-Yl]-4- (Beta-D-Galactopyranosyloxy)benzamide PDB code: 4yw6(A).
		11. Ligand: G0S × 1 3-(Beta-D-Galactopyranosylthio)propanoic acid PDB code: 3zyh(A).
		12. Ligand: GAL-PHB × 1 GAL=Beta-D-Galactopyranose, PHB=P-Hydroxybenzoic acid. PDB code: 3zyb(A).
		13. Ligand: GLA × 1 Alpha-D-Galactopyranose PDB code: 4al9(A).
		14. Ligand: GLN-ARG-SER-ALA × 1 PDB code: 4lkd(A).
		15. Ligand: GS9 × 1 Naphthalen-2-Yl 1-Thio-Beta-D-Galactopyranoside PDB code: 4a6s(A).
		16. Ligand: LRD-GAL × 1 LRD=2-[(E)-(3-Chloro-4-Hydroxyphenyl)(3-Chloro-4- Oxocyclohexa-2,5-Dien-1- Ylidene)methyl]benzenesulfonic acid, GAL=Beta-D-Galactopyranose. PDB code: 4lk6(A).
		17. Ligand: LYS-PRO-LEU-NH2 × 1 NH2=Amino group. PDB code: 3zyb(A).
		18. Ligand: MBG-GLA × 1 MBG=Methyl beta-D-Galactopyranoside, GLA=Alpha-D-Galactopyranose. PDB code: 2wyf(A).
		19. Ligand: MHD-GAL × 1 MHD=1-Methyl-1h-Indol-3-Ol, GAL=Beta-D-Galactopyranose. PDB code: 4ljh(A).
		20. Ligand: P3K × 1 2,3-Bis(oxidanyl)benzenecarbonitrile PDB code: 6yo3(A).
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Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 1oko(A).
		2. Ligand: P4H × 1 [2,4-Bis(oxidanyl)phenyl]-[3,4-Bis(oxidanyl) phenyl]methanone PDB code: 6yoh(A).
		3. Ligand: SO4 × 1 Sulfate ion PDB code: 1oko(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: 1PE × 1 Pentaethylene glycol PDB code: 4cp9(A).
		2. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 4cpb(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 2vxj(A), 4al9(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 1uoj(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 1 Sulfate ion PDB code: 1oko(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 1 Sulfate ion PDB code: 1oko(A).