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Ligand clusters for UniProt code Q9XEI3

Ligand clusters for Q9XEI3: Beta-D-glucan exohydrolase isoenzyme ExoI from Hordeum vulgare subsp. vulgare

Top 6 (of 47) ligand clusters
Cluster 1.
12 ligand types
65 ligands
 Cluster 2.
28 ligand types
169 ligands
 Cluster 3.
9 ligand types
50 ligands
 Cluster 4.
5 ligand types
67 ligands
 Cluster 5.
6 ligand types
48 ligands
 Cluster 6.
5 ligand types
40 ligands
Representative protein: 3wlqA  
JSmol
 

Structures

PDB   Schematic diagram
3wlqA    
1iexA    
6jgbA    
6jglA    
6jggA    
 more ...

 

 Cluster 1 contains 12 ligand types

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Ligand Description


 
1. Ligand: NAG × 22
n-acetylglucosamine
2-Acetamido-2-Deoxy-Beta-D-Glucopyranose
PDB codes: 3wli(A), 3wlm(A), 3wlo(A), 3wlq(A), 3wlr(A), 3wls(A), 3wlt(A), 6jg1(A), 6jg6(A), 6jg7(A), 6jga(A), 6jgb(A), 6jgk(A), 6jgl(A), 6jgo(A), 6jgq(A), 6k6v(A), 6kuf(A), 6l1j(A), 6lbb(A), 6md6(A), 6mi1(A).


 
2. Ligand: GOL × 11
glycerin
Glycerol
PDB codes: 3wli(A), 3wlp(A), 3wlt(A), 6jgc(A), 6jgd(A), 6jge(A), 6jgk(A), 6jgl(A), 6kuf(A), 6l1j(A), 6md6(A).


 
3. Ligand: 1PE × 9
Pentaethylene glycol
PDB codes: 6jga(A), 6jgb(A), 6jgg(A), 6jgk(A), 6lbb(A), 6lbv(A),


 
4. Ligand: ACT × 5
Acetate ion
PDB codes: 6jgb(A), 6jgd(A), 6jgo(A), 6lbb(A).


 
5. Ligand: NAG-NAG-BMA-MAN-NAG-FUC × 4
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose, FUC=Alpha-L-Fucopyranose.
PDB codes: 1ieq(A), 1iev(A), 1iex(A), 1j8v(A).


 
6. Ligand: SO4 × 4
Sulfate ion
PDB codes: 6jg1(A), 6jga(A), 6jgn(A), 6jgp(A).


 
7. Ligand: NAG-NAG-BMA-MAN-NAG-FUL × 3
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose, FUL=Beta-L-Fucopyranose.
PDB codes: 1iew(A), 3wlh(A), 3wlj(A).


 
8. Ligand: NAG-NAG-BMA-MAN-NAG-XYP-FUC × 3
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose, XYP=Beta-D-Xylopyranose, FUC=Alpha-L-Fucopyranose.
PDB codes: 1x38(A), 1x39(A), 3wll(A).


 
9. Ligand: NAG-NAG-BMA-BMA-NAG × 1
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose.
PDB code: 3wln(A).


 
10. Ligand: NAG-NAG-BMA-MAN-NAG × 1
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose.
PDB code: 3wlk(X).


 
11. Ligand: NAG-NAG-MAN-MAN-NAG-FCA × 1
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, MAN=Alpha-D-Mannopyranose, FCA=Alpha-D-Fucopyranose.
PDB code: 1ex1(A).


 
12. Ligand: NAG-NAG-MAN-MAN-NAG-FUC × 1
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, MAN=Alpha-D-Mannopyranose, FUC=Alpha-L-Fucopyranose.
PDB code: 1lq2(A).

 

 Cluster 2 contains 28 ligand types (of which only 20 are listed. Click for all)

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Ligand Description


 
1. Ligand: GOL × 33
glycerin
Glycerol
PDB codes: 1x38(A), 1x39(A), 3wli(A), 3wlk(X), 3wlp(A), 3wlq(A), 3wlr(A), 3wlt(A), 6jg6(A), 6jgc(A), 6jgd(A), 6jge(A), 6jgg(A), 6jgk(A), 6jgl(A), 6jgn(A), 6jgo(A), 6jgp(A), 6jgr(A), 6jgt(A), 6kuf(A), 6l1j(A), 6lbv(A), 6lc5(A), 6md6(A),


 
2. Ligand: NAG × 30
n-acetylglucosamine
2-Acetamido-2-Deoxy-Beta-D-Glucopyranose
PDB codes: 1ex1(A), 1iev(A), 1iex(A), 1lq2(A), 3wli(A), 3wlo(A), 3wlq(A), 3wlr(A), 3wls(A), 3wlt(A), 6jg1(A), 6jg2(A), 6jg6(A), 6jg7(A), 6jga(A), 6jgb(A), 6jgc(A), 6jge(A), 6jgg(A), 6jgk(A), 6jgl(A), 6jgo(A), 6jgq(A), 6jgs(A), 6k6v(A), 6kuf(A), 6l1j(A), 6lbb(A), 6md6(A), 6mi1(A).


 
3. Ligand: GLC × 3
d-glucose
Alpha-D-Glucopyranose
PDB codes: 1ex1(A), 6jgc(A),


 
4. Ligand: INS × 1
inositol
1,2,3,4,5,6-Hexahydroxy-Cyclohexane
PDB code: 1iev(A).


 
5. Ligand: SO4 × 19
Sulfate ion
PDB codes: 3wli(A), 3wlp(A), 3wls(A), 6jg1(A), 6jg6(A), 6jga(A), 6jgc(A), 6jge(A), 6jgk(A), 6jgl(A), 6jgp(A), 6jgs(A), 6kuf(A), 6lbb(A), 6lbv(A), 6lc5(A), 6mi1(A).


 
6. Ligand: ACT × 12
Acetate ion
PDB codes: 6jgb(A), 6jgg(A), 6jgn(A), 6jgo(A), 6jgp(A), 6jgr(A), 6jgt(A), 6k6v(A), 6kuf(A), 6l1j(A).


 
7. Ligand: 1PE × 11
Pentaethylene glycol
PDB codes: 6jgb(A), 6jgd(A), 6jgg(A), 6jgn(A), 6jgt(A), 6l1j(A), 6md6(A),


 
8. Ligand: NAG-NAG-BMA × 11
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose.
PDB codes: 1ieq(A), 1iew(A), 1j8v(A), 1x38(A), 1x39(A), 3wlh(A), 3wlj(A), 3wlk(X), 3wll(A), 3wlm(A), 3wln(A).


 
9. Ligand: BGC × 8
Beta-D-Glucopyranose
PDB codes: 1ieq(A), 3wlh(A), 3wlj(A), 3wlk(X), 3wlo(A), 6kuf(A).


 
10. Ligand: U1Y-BGC × 8
U1Y=Methyl 6-Thio-Beta-D-Glucopyranoside, BGC=Beta-D-Glucopyranose.
PDB codes: 6jg6(A), 6jgb(A), 6jgd(A), 6jgp(A), 6jgt(A), 6k6v(A), 6lbv(A), 6mi1(A).


 
11. Ligand: U2A-BGC × 6
U2A=Methyl 2-Thio-Beta-D-Glucopyranoside, BGC=Beta-D-Glucopyranose.
PDB codes: 6jg7(A), 6jge(A), 6jgg(A), 6jgl(A), 6jgq(A), 6md6(A).


 
12. Ligand: LAM × 4
4'-Nitrophenyl-S-(Beta-D-Glucopyranosyl)-(1-3)-(3-Thio- Beta-D-Glucopyranosyl)-(1-3)-Beta-D-
Glucopyranoside
PDB codes: 1j8v(A), 6jgn(A), 6jgr(A), 6l1j(A).


 
13. Ligand: GS1-SGC-BGC × 3
GS1=1-Thio-Beta-D-Glucopyranose, SGC=4-Thio-Beta-D-Glucopyranose, BGC=Beta-D-Glucopyranose.
PDB codes: 6jg1(A), 6jgk(A), 6lbb(A).


 
14. Ligand: SGC-BGC × 3
SGC=4-Thio-Beta-D-Glucopyranose, BGC=Beta-D-Glucopyranose.
PDB codes: 1iex(A), 6jgo(A), 6jgs(A).


 
15. Ligand: 6BV × 2
(2~{r},3~{s},4~{s},5~{r},6~{r})-6-(Hydroxymethyl)-4- [(2~{s},3~{r},4~{s},5~{s},6~{r})-6-
(Hydroxymethyl)-3, 4,5-Tris(oxidanyl)oxan-2-Yl]sulfanyl-Oxane-2,3,5-Triol
PDB codes: 6jga(A), 6lc5(A).


 
16. Ligand: GS1-MGL × 2
GS1=1-Thio-Beta-D-Glucopyranose, MGL=O1-Methyl-Glucose.
PDB codes: 3wls(A), 3wlt(A).


 
17. Ligand: IDD × 2
(5r,6r,7s,8s)-5-(Hydroxymethyl)-2-Phenyl-5,6,7,8- Tetrahydroimidazo[1,2-A]pyridine-6,7,8-Triol
PDB codes: 1lq2(A), 1x38(A).


 
18. Ligand: 3DO × 1
3-Deoxy-Beta-D-Glucopyranose
PDB code: 3wlj(A).


 
19. Ligand: BOG × 1
Octyl beta-D-Glucopyranoside
PDB code: 3wlm(A).


 
20. Ligand: BV6 × 1
(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(Hydroxymethyl)-6- [(2~{s},3~{s},4~{s},5~{r},6~{s})-2-
(Hydroxymethyl)-6- (4-Nitrophenoxy)-3,5-Bis(oxidanyl)oxan-4-Yl]sulfanyl- Oxane-3,4,5-Triol
PDB code: 6jg2(A).

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 Cluster 3 contains 9 ligand types

Selection shortcuts: select all/none invert selection.
Ligand Description


 
1. Ligand: NAG × 28
n-acetylglucosamine
2-Acetamido-2-Deoxy-Beta-D-Glucopyranose
PDB codes: 1iew(A), 3wli(A), 3wlo(A), 3wlp(A), 3wlq(A), 3wlr(A), 3wls(A), 3wlt(A), 6jg1(A), 6jg2(A), 6jg6(A), 6jg7(A), 6jga(A), 6jgb(A), 6jgc(A), 6jgk(A), 6jgl(A), 6jgo(A), 6jgp(A), 6jgq(A), 6jgs(A), 6jgt(A), 6k6v(A), 6kuf(A), 6l1j(A), 6lbb(A), 6md6(A), 6mi1(A).


 
2. Ligand: GOL × 1
glycerin
Glycerol
PDB code: 6jgc(A).


 
3. Ligand: ACT × 6
Acetate ion
PDB codes: 6jgk(A), 6jgl(A), 6jgo(A), 6jgs(A), 6k6v(A), 6lbb(A).


 
4. Ligand: SO4 × 4
Sulfate ion
PDB codes: 3wls(A), 6jgc(A), 6mi1(A).


 
5. Ligand: NAG-NAG-BMA-FUC × 3
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, FUC=Alpha-L-Fucopyranose, BMA=Beta-D-Mannopyranose.
PDB codes: 1lq2(A), 3wlm(A), 3wln(A).


 
6. Ligand: NAG-NAG-BMA-XYP-FUC × 3
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, XYP=Beta-D-Xylopyranose, FUC=Alpha-L-Fucopyranose.
PDB codes: 1x38(A), 1x39(A), 3wll(A).


 
7. Ligand: NAG-NAG-BMA-XYP-FUL × 3
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, FUL=Beta-L-Fucopyranose, XYP=Beta-D-Xylopyranose.
PDB codes: 3wlh(A), 3wlj(A), 3wlk(X).


 
8. Ligand: 1PE × 1
Pentaethylene glycol
PDB code: 6jg1(A).


 
9. Ligand: NAG-NAG × 1
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose.
PDB code: 1j8v(A).

 

 Cluster 4 contains 5 ligand types

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Ligand Description


 
1. Ligand: GOL × 28
glycerin
Glycerol
PDB codes: 1x38(A), 1x39(A), 3wlh(A), 3wli(A), 3wlj(A), 3wlk(X), 3wlr(A), 3wls(A), 3wlt(A), 6jg1(A), 6jg6(A), 6jg7(A), 6jge(A), 6jgg(A), 6jgk(A), 6jgl(A), 6jgn(A), 6jgo(A), 6jgq(A), 6jgs(A), 6kuf(A), 6lbb(A), 6md6(A), 6mi1(A).


 
2. Ligand: 1PE × 18
Pentaethylene glycol
PDB codes: 6jg2(A), 6jg6(A), 6jgb(A), 6jgd(A), 6jgg(A), 6jgk(A), 6jgn(A), 6jgr(A), 6lc5(A),


 
3. Ligand: SO4 × 10
Sulfate ion
PDB codes: 6jg2(A), 6jga(A), 6jgc(A), 6jge(A), 6jgk(A), 6jgn(A), 6md6(A).


 
4. Ligand: ACT × 9
Acetate ion
PDB codes: 6jgb(A), 6jgn(A), 6jgp(A), 6jgr(A), 6jgs(A), 6k6v(A).


 
5. Ligand: EPE × 2
4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid
PDB codes: 6lc5(A),

 

 Cluster 5 contains 6 ligand types

Selection shortcuts: select all/none invert selection.
Ligand Description


 
1. Ligand: GOL × 10
glycerin
Glycerol
PDB codes: 3wlp(A), 3wlt(A), 6jg1(A), 6jgc(A), 6jge(A), 6jgt(A).


 
2. Ligand: 1PE × 26
Pentaethylene glycol
PDB codes: 6jg1(A), 6jg6(A), 6jga(A), 6jgb(A), 6jgd(A), 6jgg(A), 6jgk(A), 6jgn(A), 6jgo(A), 6jgr(A), 6jgs(A), 6jgt(A), 6l1j(A), 6lbb(A), 6lbv(A), 6lc5(A),


 
3. Ligand: ACT × 9
Acetate ion
PDB codes: 6jgd(A), 6jgg(A), 6jgk(A), 6jgl(A), 6jgn(A), 6jgo(A), 6k6v(A),


 
4. Ligand: EDO × 1
1,2-Ethanediol
PDB code: 3wll(A).


 
5. Ligand: PGE × 1
Triethylene glycol
PDB code: 3wll(A).


 
6. Ligand: SO4 × 1
Sulfate ion
PDB code: 6jgc(A).

 

 Cluster 6 contains 5 ligand types

Selection shortcuts: select all/none invert selection.
Ligand Description


 
1. Ligand: GOL × 24
glycerin
Glycerol
PDB codes: 3wlh(A), 3wlj(A), 3wlk(X), 3wls(A), 3wlt(A), 6jg6(A), 6jgb(A), 6jgd(A), 6jgg(A), 6jgk(A), 6jgn(A), 6jgo(A), 6jgp(A), 6jgr(A), 6jgt(A), 6kuf(A), 6l1j(A), 6lbb(A), 6lbv(A), 6lc5(A), 6md6(A), 6mi1(A).


 
2. Ligand: ACT × 6
Acetate ion
PDB codes: 6jgg(A), 6jgl(A), 6jgn(A), 6jgr(A), 6jgt(A), 6k6v(A).


 
3. Ligand: 1PE × 5
Pentaethylene glycol
PDB codes: 6jg1(A), 6jgd(A), 6jgg(A), 6jgr(A), 6lc5(A).


 
4. Ligand: SO4 × 4
Sulfate ion
PDB codes: 6jgc(A), 6jgd(A), 6jge(A), 6jgg(A).


 
5. Ligand: GOL-GOL × 1
GOL=Glycerol.
PDB code: 3wlp(A).

 

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