Ligand clusters for UniProt code D6D1V7

Ligand clusters for D6D1V7: Glycosyl hydrolase family 71 OS=Bacteroides xylanisolvens XB1A OX=657309 GN=BXY_34140 PE=1 SV=1

		Top 6 (of 9) ligand clusters Cluster 1. 18 ligand types 46 ligands Cluster 2. 2 ligand types 5 ligands Cluster 3. 1 ligand type 7 ligands Cluster 4. 1 ligand type 7 ligands Cluster 5. 1 ligand type 10 ligands Cluster 6. 1 ligand type 1 ligand
Representative protein: 5m3wA

Structures

PDB		Schematic diagram
5m3wA
6fwpA
6fwqA
5melA
6hmgA
		more ...

Cluster 1 contains 18 ligand types

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Ligand		Description
		1. Ligand: MAN-MAN × 12 MAN=Alpha-D-Mannose. PDB codes: 4ad4(A), 4ad5(A), 4utf(A), 5m03(A), 5m3w(A), 5mc8(A), 6fwj(A), 6fwp(A), 6fwq(A), 6hmh(A).
		2. Ligand: EDO × 7 1,2-Ethanediol PDB codes: 4utf(A), 4v27(A), 5m17(A), 5m5d(A),
		3. Ligand: ACT × 3 Acetate ion PDB codes: 4v28(A), 6fwp(A),
		4. Ligand: E9K-GLC × 2 E9K=(1~{r},2~{r},3~{r},4~{r},6~{r})-4-(Hydroxymethyl)-7- Azabicyclo[4.1.0]heptane-2,3-Diol, GLC=Alpha-D-Glucose. PDB codes: 6fwi(A), 6fwj(A).
		5. Ligand: GDQ-GLC × 2 GDQ=(1~{s},2~{r},3~{r},4~{r},6~{s})-4-(Hydroxymethyl)-7- Azabicyclo[4.1.0]heptane-2,3-Diol, GLC=Alpha-D-Glucose. PDB codes: 6hmg(A), 6hmh(A).
		6. Ligand: GLC-DMJ × 2 GLC=Alpha-D-Glucose, DMJ=1-Deoxymannojirimycin. PDB codes: 4ad3(A), 4ad5(A).
		7. Ligand: GLC-IFM × 2 IFM=5-Hydroxymethyl-3,4-Dihydroxypiperidine, GLC=Alpha-D-Glucose. PDB codes: 4ad2(A), 4ad4(A).
		8. Ligand: M96-GLC × 2 M96=(1~{s},2~{r},3~{s},4~{r},5~{r})-5-(Hydroxymethyl) cyclohexane-1,2,3,4-Tetrol, GLC=Alpha-D-Glucose. PDB codes: 6fwm(A), 6fwo(A).
		9. Ligand: MAN-7D1 × 2 MAN=Alpha-D-Mannose, 7D1=(2~{r},3~{s},4~{r})-2-(Hydroxymethyl)oxane-3,4-Diol. PDB codes: 5m17(A), 5m3w(A).
		10. Ligand: MAN-DGO × 2 MAN=Alpha-D-Mannose, DGO=D-Glucal. PDB codes: 5m5d(A), 5mc8(A).
		11. Ligand: MAN-IFM × 2 IFM=5-Hydroxymethyl-3,4-Dihydroxypiperidine, MAN=Alpha-D-Mannose. PDB codes: 4utf(A), 4v27(A).
		12. Ligand: MAN-MNM × 2 MAN=Alpha-D-Mannose, MNM=(2s,3s,4r,5r)-2,3,4-Trihydroxy-5-Hydroxymethyl- Piperidine. PDB codes: 5lyr(A), 5m03(A).
		13. Ligand: 4MU-MAN-MAN × 1 4MU=7-Hydroxy-4-Methyl-2h-Chromen-2-One, MAN=Alpha-D-Mannose. PDB code: 4v28(A).
		14. Ligand: BO0-GLC × 1 BO0=(1~{s},2~{s},3~{r},4~{r},6~{r})-4-(Hydroxymethyl)-7- Oxabicyclo[4.1.0]heptane-2,3-Diol, GLC=Alpha-D-Glucose. PDB code: 6fwl(A).
		15. Ligand: GLC-7LQ × 1 GLC=Alpha-D-Glucose, 7LQ=(1~{r},2~{r},6~{r})-6-(Hydroxymethyl)cyclohex-3-Ene-1, 2-Diol. PDB code: 5mel(A).
		16. Ligand: MAN-G63 × 1 MAN=Alpha-D-Mannose, G63=Mannose-Alpha-1,3-2-Aminodeoxymannojirimycin. PDB code: 6fam(A).
		17. Ligand: MAN-MAN-MAN-MMA × 1 MAN=Alpha-D-Mannose, MMA=O1-Methyl-Mannose. PDB code: 6fwg(A).
		18. Ligand: MAN-MVL × 1 MAN=Alpha-D-Mannose, MVL=(5r,6r,7s,8r)-5-(Hydroxymethyl)-5,6,7,8- Tetrahydroimidazo[1,2-A]pyridine-6,7,8-Triol. PDB code: 6far(A).

Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: ACT × 4 Acetate ion PDB codes: 4v28(A), 5lyr(A), 5m3w(A), 6fwp(A).
_Na		2. Metal: _NA × 1 PDB code: 6fwq(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 7 1,2-Ethanediol PDB codes: 4utf(A), 4v27(A), 4v28(A), 5m17(A), 5m3w(A), 5m5d(A), 5mc8(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: ACT × 7 Acetate ion PDB codes: 4v28(A), 5m17(A), 5mc8(A), 6fwg(A), 6fwi(A), 6fwl(A), 6fwo(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: ACT × 10 Acetate ion PDB codes: 5lyr(A), 5m03(A), 5m3w(A), 5m5d(A), 5mel(A), 6fam(A), 6fwj(A), 6fwm(A), 6hmg(A), 6hmh(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5m5d(A).