Ligand clusters for UniProt code Q0ED31

Ligand clusters for Q0ED31: Envelope glycoprotein gp160 from Human immunodeficiency virus 1

		Top 6 (of 25) ligand clusters Cluster 1. 7 ligand types 71 ligands Cluster 2. 11 ligand types 20 ligands Cluster 3. 4 ligand types 61 ligands Cluster 4. 3 ligand types 64 ligands Cluster 5. 3 ligand types 36 ligands Cluster 6. 2 ligand types 34 ligands
Representative protein: 3ngbG

Structures

PDB		Schematic diagram
3ngbG
4yflG
4olwG
4om1G
4olzG
		more ...

Cluster 1 contains 7 ligand types

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Ligand		Description
		1. Ligand: NAG × 65 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 3ngb(G), 3se8(G), 3se9(G), 3tgt(A), 4dko(A), 4dkp(A), 4dkq(A), 4dkr(A), 4h8w(G), 4i54(A), 4jb9(G), 4jkp(G), 4jpv(G), 4jpw(G), 4lsp(G), 4lsq(G), 4lsr(G), 4lsu(G), 4olu(G), 4olv(G), 4olw(G), 4olx(G), 4oly(G), 4olz(G), 4om0(G), 4om1(G), 4rfn(G), 4rfo(G), 4xnz(G), 4xvt(G), 4ydj(G), 4ydk(G), 4ydl(G),
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 3se9(G).
		3. Ligand: NAG-NAG-BMA-MAN-MAN × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose. PDB code: 4p9h(G).
		4. Ligand: NAG-NAG-BMA-MAN-MAN-MAN × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose. PDB code: 4jkp(G).
		5. Ligand: NAG-NAG-BMA-MAN-MAN-MAN-MAN-MAN-MAN-MAN × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose. PDB code: 4p9h(G).
		6. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 4ydk(G).
		7. Ligand: SO4 × 1 Sulfate ion PDB code: 3se8(G).

Cluster 2 contains 11 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4ydk(G).
		2. Ligand: EDO × 6 1,2-Ethanediol PDB codes: 4jpv(G), 4lsp(G), 4lsu(G),
		3. Ligand: SO4 × 4 Sulfate ion PDB codes: 3se8(G), 3se9(G), 4jdt(G).
		4. Ligand: BU3 × 2 (R,R)-2,3-Butanediol PDB codes: 3se9(G), 4lsq(G).
		5. Ligand: 0LJ × 1 N-[(1r,2r)-2-Carbamimidamido-2,3-Dihydro-1h-Inden-1- Yl]-N'-(4-Chloro-3-Fluorophenyl)ethanediamide PDB code: 4dkr(A).
		6. Ligand: 0LK × 1 N-[(1s,2s)-2-Carbamimidamido-2,3-Dihydro-1h-Inden-1- Yl]-N'-(4-Chloro-3-Fluorophenyl)ethanediamide PDB code: 4dkq(A).
		7. Ligand: 0LL × 1 N-[(1s,2s)-2-Amino-2,3-Dihydro-1h-Inden-1-Yl]-N'-(4- Chloro-3-Fluorophenyl)ethanediamide PDB code: 4dkp(A).
		8. Ligand: 0LM × 1 N-(4-Chloro-3-Fluorophenyl)-N'-(1,2,2,6,6- Pentamethylpiperidin-4-Yl)ethanediamide PDB code: 4dko(A).
		9. Ligand: 1C1 × 1 Amino({[(1r,2r)-1-({[(4-Chloro-3-Fluorophenyl) amino](oxo)acetyl}amino)-2,3-Dihydro-1h-Inden-2- Yl]methyl}amino)methanimi nium PDB code: 4i54(A).
		10. Ligand: MRD × 1 (4r)-2-Methylpentane-2,4-Diol PDB code: 4h8w(G).
		11. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 4lsp(G).

Cluster 3 contains 4 ligand types

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Ligand		Description
		1. Ligand: NAG × 58 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 3ngb(G), 3se8(G), 3se9(G), 3tgt(A), 4dko(A), 4dkp(A), 4dkq(A), 4dkr(A), 4h8w(G), 4i54(A), 4jb9(G), 4jdt(G), 4jpv(G), 4jpw(G), 4lsp(G), 4lsq(G), 4lsr(G), 4lsu(G), 4olu(G), 4olv(G), 4olw(G), 4olx(G), 4oly(G), 4olz(G), 4om0(G), 4om1(G), 4rfn(G), 4rfo(G), 4xnz(G), 4xvt(G), 4ydj(G), 4ydk(G), 4ydl(G), 4yfl(G).
		2. Ligand: NAG-NAG-BMA-MAN × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose. PDB code: 4p9h(G).
		3. Ligand: NAG-NAG-BMA-MAN-MAN × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose. PDB code: 4jkp(G).
		4. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 4ydk(G).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: NAG × 62 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 3ngb(G), 3se8(G), 3se9(G), 3tgt(A), 4dko(A), 4dkp(A), 4dkq(A), 4dkr(A), 4h8w(G), 4i54(A), 4jb9(G), 4jkp(G), 4jpv(G), 4jpw(G), 4lsp(G), 4lsq(G), 4lsr(G), 4lsu(G), 4olu(G), 4olv(G), 4olw(G), 4olx(G), 4oly(G), 4olz(G), 4om0(G), 4om1(G), 4rfn(G), 4rfo(G), 4xnz(G), 4xvt(G), 4ydj(G), 4ydk(G), 4ydl(G), 4yfl(G).
		2. Ligand: NAG-NAG-BMA-MAN × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose. PDB code: 4p9h(G).
		3. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 4ydk(G).

Cluster 5 contains 3 ligand types

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Ligand		Description
		1. Ligand: NAG × 32 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 3ngb(G), 3se8(G), 3se9(G), 3tgt(A), 4dko(A), 4dkp(A), 4dkq(A), 4dkr(A), 4h8w(G), 4i54(A), 4jb9(G), 4jpv(G), 4jpw(G), 4lsp(G), 4lsq(G), 4lsr(G), 4lsu(G), 4olu(G), 4olv(G), 4olw(G), 4olx(G), 4oly(G), 4olz(G), 4om0(G), 4om1(G), 4rfn(G), 4rfo(G), 4xvt(G), 4ydj(G), 4ydk(G), 4ydl(G), 4yfl(G).
		2. Ligand: SO4 × 3 Sulfate ion PDB codes: 3se8(G), 3se9(G), 4lsr(G).
		3. Ligand: NAG-NAG-BMA × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose. PDB code: 4jkp(G).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: NAG × 33 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 3ngb(G), 3se8(G), 3se9(G), 3tgt(A), 4dko(A), 4dkp(A), 4dkq(A), 4dkr(A), 4h8w(G), 4i54(A), 4jb9(G), 4jkp(G), 4jpv(G), 4jpw(G), 4lsp(G), 4lsq(G), 4lsr(G), 4lsu(G), 4olu(G), 4olv(G), 4olw(G), 4olx(G), 4oly(G), 4olz(G), 4om0(G), 4om1(G), 4rfn(G), 4rfo(G), 4xvt(G), 4ydj(G), 4ydk(G), 4ydl(G), 4yfl(G).
		2. Ligand: NAG-NAG × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB code: 4p9h(G).