Ligand clusters for UniProt code C3W5S3

Ligand clusters for C3W5S3: Neuraminidase OS=Influenza A virus (strain swl A/California/04/2009 H1N1) OX=641501 GN=NA PE=1 SV=1

		Top 6 (of 11) ligand clusters Cluster 1. 4 ligand types 5 ligands Cluster 2. 5 ligand types 5 ligands Cluster 3. 1 ligand type 7 ligands Cluster 4. 2 ligand types 3 ligands Cluster 5. 2 ligand types 4 ligands Cluster 6. 2 ligand types 3 ligands
Representative protein: 3nssA

Structures

PDB		Schematic diagram
3nssA
3ti6A
3ti4A
6q23C
3ti5A
		more ...

Cluster 1 contains 4 ligand types

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Ligand		Description
		1. Ligand: NAG-NAG-BMA-MAN × 2 NAG=N-Acetyl-D-Glucosamine, BMA=Beta-D-Mannose, MAN=Alpha-D-Mannose. PDB codes: 3ti4(A), 3ti6(A).
		2. Ligand: NAG-NAG × 1 NAG=N-Acetyl-D-Glucosamine. PDB code: 3ti3(A).
		3. Ligand: NAG-NAG-BMA × 1 NAG=N-Acetyl-D-Glucosamine, BMA=Beta-D-Mannose. PDB code: 3ti5(A).
		4. Ligand: NAG-NAG-MAN-MAN × 1 NAG=N-Acetyl-D-Glucosamine, MAN=Alpha-D-Mannose. PDB code: 3nss(A).

Cluster 2 contains 5 ligand types

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Ligand		Description
		1. Ligand: ZMR × 1 zanamivir Zanamivir PDB code: 3ti5(A).
		2. Ligand: ACT × 1 Acetate ion PDB code: 3nss(A).
		3. Ligand: G39 × 1 (3r,4r,5s)-4-(Acetylamino)-5-Amino-3-(Pentan-3-Yloxy) cyclohex-1-Ene-1-Carboxylic acid PDB code: 3ti6(A).
		4. Ligand: LNV × 1 5-(Acetylamino)-2,6-Anhydro-4-Carbamimidamido-3,4,5- Trideoxy-7-O-Methyl-D-Glycero-D-Galacto-Non-2- Enonic acid PDB code: 3ti3(A).
		5. Ligand: LVO × 1 5-(Acetylamino)-2,6-Anhydro-4-Carbamimidamido-3,4,5- Trideoxy-7-O-Methyl-9-O-Octanoyl-D-Glycero-D- Galacto- Non-2-Enonic acid PDB code: 3ti4(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: NAG × 7 n-acetylglucosamine N-Acetyl-D-Glucosamine PDB codes: 3nss(A), 3ti3(A), 3ti4(A), 3ti5(A), 3ti6(A), 6q23(C),

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 3ti5(A), 3ti6(A).
		2. Ligand: ACT × 1 Acetate ion PDB code: 3nss(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 3ti3(A), 3ti5(A), 3ti6(A).
		2. Ligand: ACT × 1 Acetate ion PDB code: 3ti4(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3ti3(A).
		2. Ligand: ACT × 2 Acetate ion PDB codes: 3ti5(A), 3ti6(A).