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Ligand clusters for UniProt code Q6B0I6

Ligand clusters for Q6B0I6: Lysine-specific demethylase 4D from Homo sapiens

Top 6 (of 30) ligand clusters
Cluster 1.
39 ligand types
825 ligands
 Cluster 2.
10 ligand types
744 ligands
 Cluster 3.
9 ligand types
26 ligands
 Cluster 4.
6 ligand types
6 ligands
 Cluster 5.
6 ligand types
15 ligands
 Cluster 6.
6 ligand types
254 ligands
Representative protein: 3dxtA  
JSmol
 

Structures

PDB   Schematic diagram
3dxtA    
6f5rA    
6f5tA    
5ploA    
6f5qA    
 more ...

 

 Cluster 1 contains 39 ligand types (of which only 20 are listed. Click for all)

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Ligand Description


 
1. Ligand: GOL × 3
glycerin
Glycerol
PDB codes: 3dxt(A), 3dxu(A).


 
2. Ligand: EDO × 266
1,2-Ethanediol
PDB codes: 4d6q(A), 4d6r(A), 4d6s(A), 5ph0(A), 5ph1(A), 5ph2(A), 5ph3(A), 5ph4(A), 5ph5(A), 5ph6(A), 5ph7(A), 5ph8(A), 5ph9(A), 5pha(A), 5phb(A), 5phc(A), 5phd(A), 5phe(A), 5phf(A), 5phg(A), 5phh(A), 5phi(A), 5phj(A), 5phk(A), 5phl(A), 5phm(A), 5phn(A), 5pho(A), 5php(A), 5phq(A), 5phr(A), 5phs(A), 5pht(A), 5phu(A), 5phv(A), 5phw(A), 5phx(A), 5phy(A), 5phz(A), 5pi0(A), 5pi1(A), 5pi2(A), 5pi3(A), 5pi4(A), 5pi5(A), 5pi6(A), 5pi7(A), 5pi8(A), 5pi9(A), 5pia(A), 5pib(A), 5pic(A), 5pid(A), 5pie(A), 5pif(A), 5pig(A), 5pih(A), 5pii(A), 5pij(A), 5pik(A), 5pil(A), 5pim(A), 5pin(A), 5pio(A), 5pip(A), 5piq(A), 5pir(A), 5pis(A), 5pit(A), 5piu(A), 5piv(A), 5piw(A), 5pix(A), 5piy(A), 5piz(A), 5pj0(A), 5pj1(A), 5pj2(A), 5pj3(A), 5pj4(A), 5pj5(A), 5pj6(A), 5pj7(A), 5pj8(A), 5pj9(A), 5pja(A), 5pjb(A), 5pjc(A), 5pjd(A), 5pje(A), 5pjf(A), 5pjg(A), 5pjh(A), 5pji(A), 5pjj(A), 5pjk(A), 5pjl(A), 5pjm(A), 5pjn(A), 5pjo(A), 5pjp(A), 5pjq(A), 5pjr(A), 5pjs(A), 5pjt(A), 5pju(A), 5pjv(A), 5pjw(A), 5pjx(A), 5pjy(A), 5pjz(A), 5pk0(A), 5pk1(A), 5pk2(A), 5pk3(A), 5pk4(A), 5pk5(A), 5pk6(A), 5pk7(A), 5pk8(A), 5pk9(A), 5pka(A), 5pkb(A), 5pkc(A), 5pkd(A), 5pke(A), 5pkf(A), 5pkg(A), 5pkh(A), 5pki(A), 5pkj(A), 5pkk(A), 5pkl(A), 5pkm(A), 5pkn(A), 5pko(A), 5pkp(A), 5pkq(A), 5pkr(A), 5pks(A), 5pkt(A), 5pku(A), 5pkv(A), 5pkw(A), 5pkx(A), 5pky(A), 5pkz(A), 5pl0(A), 5pl1(A), 5pl2(A), 5pl3(A), 5pl4(A), 5pl5(A), 5pl6(A), 5pl7(A), 5pl8(A), 5pl9(A), 5pla(A), 5plb(A), 5plc(A), 5pld(A), 5ple(A), 5plf(A), 5plg(A), 5plh(A), 5pli(A), 5plj(A), 5plk(A), 5pll(A), 5plm(A), 5pln(A), 5plo(A), 5plp(A), 5plq(A), 5plr(A), 5pls(A), 5plt(A), 5plu(A), 5plv(A), 5plw(A), 5plx(A), 5ply(A), 5plz(A), 5pm0(A), 5pm1(A), 5pm2(A), 5pm3(A), 5pm4(A), 5pm5(A), 5pm6(A), 5pm7(A), 5pm8(A), 5pm9(A), 5pma(A), 5pmb(A), 5pmc(A), 5pmd(A), 5pme(A), 5pmf(A), 5pmg(A), 5pmh(A), 5pmi(A), 5pmj(A), 5pmk(A), 5pml(A), 5pmm(A), 5pmn(A), 5pmo(A), 5pmp(A), 5pmq(A), 5pmr(A), 5pms(A), 5pmt(A), 5pmu(A), 5pmv(A), 5pmw(A), 5pmx(A), 5pmy(A), 5pmz(A), 5pn0(A), 5pn1(A), 5pn2(A), 5pn3(A), 5pn4(A), 5pn5(A), 5pn6(A), 5pn7(A), 5pn8(A), 5pn9(A), 5pna(A), 5pnb(A), 5pnc(A), 5pnd(A), 5pne(A), 5pnf(A), 5png(A), 5pnh(A), 5pni(A), 5pnj(A), 5pnk(A), 5pnl(A), 5pnm(A), 5pnn(A), 5pno(A), 5pnp(A), 5pnq(A), 5pnr(A), 5pns(A), 5pnu(A), 5pnv(A), 5pnw(A), 6ete(A), 6etg(A), 6ets(A), 6ett(A), 6etu(A), 6f5q(A), 6f5r(A), 6h0w(A), 6h0x(A), 6h0y(A), 6h0z(A), 6h10(A), 6h11(A).

_Ni
 
3. Metal: _NI × 258
PDB codes: 4d6q(A), 4d6r(A), 4d6s(A), 4hon(A), 4hoo(A), 5f5a(A), 5f5c(A), 5ph0(A), 5ph1(A), 5ph2(A), 5ph3(A), 5ph4(A), 5ph5(A), 5ph6(A), 5ph7(A), 5ph8(A), 5ph9(A), 5pha(A), 5phb(A), 5phc(A), 5phd(A), 5phe(A), 5phf(A), 5phg(A), 5phh(A), 5phi(A), 5phj(A), 5phk(A), 5phl(A), 5phm(A), 5phn(A), 5pho(A), 5php(A), 5phq(A), 5phr(A), 5phs(A), 5pht(A), 5phu(A), 5phv(A), 5phw(A), 5phx(A), 5phy(A), 5phz(A), 5pi0(A), 5pi1(A), 5pi2(A), 5pi3(A), 5pi4(A), 5pi5(A), 5pi6(A), 5pi7(A), 5pi8(A), 5pi9(A), 5pia(A), 5pib(A), 5pic(A), 5pid(A), 5pie(A), 5pif(A), 5pig(A), 5pih(A), 5pii(A), 5pij(A), 5pik(A), 5pil(A), 5pim(A), 5pin(A), 5pio(A), 5pip(A), 5piq(A), 5pir(A), 5pis(A), 5pit(A), 5piu(A), 5piv(A), 5pix(A), 5piy(A), 5piz(A), 5pj0(A), 5pj1(A), 5pj2(A), 5pj3(A), 5pj4(A), 5pj5(A), 5pj6(A), 5pj7(A), 5pj8(A), 5pj9(A), 5pja(A), 5pjb(A), 5pjc(A), 5pjd(A), 5pje(A), 5pjf(A), 5pjg(A), 5pjh(A), 5pji(A), 5pjj(A), 5pjk(A), 5pjl(A), 5pjm(A), 5pjn(A), 5pjo(A), 5pjp(A), 5pjq(A), 5pjr(A), 5pjs(A), 5pjt(A), 5pju(A), 5pjv(A), 5pjw(A), 5pjx(A), 5pjy(A), 5pjz(A), 5pk0(A), 5pk1(A), 5pk2(A), 5pk3(A), 5pk4(A), 5pk5(A), 5pk6(A), 5pk7(A), 5pk8(A), 5pk9(A), 5pka(A), 5pkb(A), 5pkc(A), 5pkd(A), 5pke(A), 5pkf(A), 5pkg(A), 5pkh(A), 5pki(A), 5pkj(A), 5pkk(A), 5pkl(A), 5pkm(A), 5pkn(A), 5pko(A), 5pkp(A), 5pkq(A), 5pkr(A), 5pks(A), 5pkt(A), 5pku(A), 5pkv(A), 5pkw(A), 5pkx(A), 5pky(A), 5pkz(A), 5pl0(A), 5pl1(A), 5pl2(A), 5pl3(A), 5pl4(A), 5pl5(A), 5pl6(A), 5pl7(A), 5pl8(A), 5pl9(A), 5pla(A), 5plb(A), 5plc(A), 5pld(A), 5ple(A), 5plf(A), 5plg(A), 5plh(A), 5pli(A), 5plj(A), 5plk(A), 5pll(A), 5plm(A), 5pln(A), 5plo(A), 5plp(A), 5plq(A), 5plr(A), 5pls(A), 5plt(A), 5plu(A), 5plv(A), 5plw(A), 5plx(A), 5ply(A), 5plz(A), 5pm0(A), 5pm1(A), 5pm2(A), 5pm3(A), 5pm4(A), 5pm5(A), 5pm6(A), 5pm7(A), 5pm8(A), 5pm9(A), 5pma(A), 5pmb(A), 5pmc(A), 5pmd(A), 5pme(A), 5pmf(A), 5pmg(A), 5pmh(A), 5pmi(A), 5pmj(A), 5pmk(A), 5pml(A), 5pmm(A), 5pmn(A), 5pmo(A), 5pmp(A), 5pmq(A), 5pmr(A), 5pms(A), 5pmt(A), 5pmu(A), 5pmv(A), 5pmw(A), 5pmx(A), 5pmy(A), 5pmz(A), 5pn1(A), 5pn2(A), 5pn3(A), 5pn4(A), 5pn5(A), 5pn6(A), 5pn7(A), 5pn8(A), 5pn9(A), 5pna(A), 5pnb(A), 5pnc(A), 5pnd(A), 5pne(A), 5pnf(A), 5png(A), 5pnh(A), 5pni(A), 5pnj(A), 5pnk(A), 5pnl(A), 5pnm(A), 5pnn(A), 5pno(A), 5pnp(A), 5pnq(A), 5pnr(A), 5pns(A), 5pnu(A), 5pnv(A), 5pnw(A), 6ete(A), 6f5q(A), 6f5r(A), 6f5s(A), 6f5t(A).


 
4. Ligand: OGA × 251
N-Oxalylglycine
PDB codes: 3dxu(A), 4d6r(A), 4d6s(A), 5ph0(A), 5ph1(A), 5ph2(A), 5ph3(A), 5ph4(A), 5ph5(A), 5ph6(A), 5ph7(A), 5ph8(A), 5ph9(A), 5pha(A), 5phb(A), 5phc(A), 5phd(A), 5phe(A), 5phf(A), 5phg(A), 5phh(A), 5phi(A), 5phj(A), 5phk(A), 5phl(A), 5phm(A), 5phn(A), 5pho(A), 5php(A), 5phq(A), 5phr(A), 5phs(A), 5pht(A), 5phu(A), 5phv(A), 5phw(A), 5phx(A), 5phy(A), 5phz(A), 5pi0(A), 5pi1(A), 5pi2(A), 5pi3(A), 5pi4(A), 5pi5(A), 5pi6(A), 5pi7(A), 5pi8(A), 5pi9(A), 5pia(A), 5pib(A), 5pic(A), 5pid(A), 5pie(A), 5pif(A), 5pig(A), 5pih(A), 5pii(A), 5pij(A), 5pik(A), 5pil(A), 5pim(A), 5pin(A), 5pio(A), 5pip(A), 5piq(A), 5pir(A), 5pis(A), 5pit(A), 5piu(A), 5piv(A), 5piw(A), 5pix(A), 5piy(A), 5piz(A), 5pj0(A), 5pj1(A), 5pj2(A), 5pj3(A), 5pj4(A), 5pj5(A), 5pj6(A), 5pj7(A), 5pj8(A), 5pj9(A), 5pja(A), 5pjb(A), 5pjc(A), 5pjd(A), 5pje(A), 5pjf(A), 5pjg(A), 5pjh(A), 5pji(A), 5pjj(A), 5pjk(A), 5pjl(A), 5pjm(A), 5pjn(A), 5pjo(A), 5pjp(A), 5pjq(A), 5pjr(A), 5pjs(A), 5pjt(A), 5pju(A), 5pjv(A), 5pjw(A), 5pjx(A), 5pjy(A), 5pjz(A), 5pk0(A), 5pk1(A), 5pk2(A), 5pk3(A), 5pk4(A), 5pk5(A), 5pk6(A), 5pk7(A), 5pk8(A), 5pk9(A), 5pka(A), 5pkb(A), 5pkc(A), 5pkd(A), 5pke(A), 5pkf(A), 5pkg(A), 5pkh(A), 5pki(A), 5pkj(A), 5pkk(A), 5pkl(A), 5pkm(A), 5pkn(A), 5pko(A), 5pkp(A), 5pkq(A), 5pkr(A), 5pks(A), 5pkt(A), 5pku(A), 5pkv(A), 5pkw(A), 5pkx(A), 5pky(A), 5pkz(A), 5pl0(A), 5pl1(A), 5pl2(A), 5pl3(A), 5pl4(A), 5pl5(A), 5pl6(A), 5pl7(A), 5pl8(A), 5pl9(A), 5pla(A), 5plb(A), 5plc(A), 5pld(A), 5ple(A), 5plf(A), 5plg(A), 5plh(A), 5pli(A), 5plj(A), 5plk(A), 5pll(A), 5plm(A), 5pln(A), 5plo(A), 5plp(A), 5plq(A), 5plr(A), 5pls(A), 5plt(A), 5plu(A), 5plv(A), 5plw(A), 5plx(A), 5ply(A), 5plz(A), 5pm0(A), 5pm1(A), 5pm2(A), 5pm3(A), 5pm4(A), 5pm5(A), 5pm6(A), 5pm7(A), 5pm8(A), 5pm9(A), 5pma(A), 5pmb(A), 5pmc(A), 5pmd(A), 5pme(A), 5pmf(A), 5pmg(A), 5pmh(A), 5pmi(A), 5pmj(A), 5pmk(A), 5pml(A), 5pmm(A), 5pmn(A), 5pmo(A), 5pmp(A), 5pmq(A), 5pmr(A), 5pms(A), 5pmt(A), 5pmu(A), 5pmv(A), 5pmw(A), 5pmx(A), 5pmy(A), 5pmz(A), 5pn0(A), 5pn1(A), 5pn2(A), 5pn3(A), 5pn4(A), 5pn5(A), 5pn6(A), 5pn7(A), 5pn8(A), 5pn9(A), 5pna(A), 5pnb(A), 5pnc(A), 5pnd(A), 5pne(A), 5pnf(A), 5png(A), 5pnh(A), 5pni(A), 5pnj(A), 5pnk(A), 5pnl(A), 5pnm(A), 5pnn(A), 5pno(A), 5pnp(A), 5pnq(A), 5pnr(A), 5pns(A), 5pnu(A), 5pnv(A), 5pnw(A).


 
5. Ligand: SO4 × 6
Sulfate ion
PDB codes: 5fp4(A), 5fp7(A), 5fp8(A), 5fp9(A), 5fpa(A), 5fpb(A).

_Co
 
6. Metal: _CO × 4
PDB codes: 5fp8(A), 5fp9(A), 5fpa(A), 5fpb(A).

Fe2
 
7. Metal: FE2 × 3
PDB codes: 3dxu(A), 5fp4(A), 5fp7(A).


 
8. Ligand: I1L × 2
[2-(2~{h}-1,2,3,4-Tetrazol-5-Yl)ethanoylamino]azanium
PDB codes: 6ets(A), 6h0w(A).


 
9. Ligand: YC8 × 2
3-(4-Phenylbutanoylamino)pyridine-4- Carboxylic acid
PDB codes: 5fp4(A), 5fp7(A).


 
10. Ligand: 4SV × 1
3-Aminopyridine-4-Carboxylic acid
PDB code: 5fp9(A).


 
11. Ligand: 5V0 × 1
2-[(Furan-2-Ylmethylamino)methyl]pyridine-4-Carboxylic acid
PDB code: 5f5a(A).


 
12. Ligand: 5V3 × 1
8-[[(Phenylmethyl)amino]methyl]-1~{h}-Pyrido[3,4- D]pyrimidin-4-One
PDB code: 5f5c(A).


 
13. Ligand: 8P1 × 1
6-Azanyl-3,4-Dihydro-2~{h}-Naphthalen-1-One
PDB code: 5phb(A).


 
14. Ligand: AKG × 1
2-Oxoglutaric acid
PDB code: 4hon(A).


 
15. Ligand: AUY × 1
3-[(4-Methylthiophen-2-Yl)methylamino] pyridine-4-Carboxylic acid
PDB code: 5fp8(A).


 
16. Ligand: BWK × 1
[2-(1-Methyl-1,2,3,4-Tetrazol-4-Ium-5-Yl) ethanoylamino]azanium
PDB code: 6ete(A).


 
17. Ligand: BWT × 1
[[4-(2~{h}-1,2,3,4-Tetrazol-5-Yl) phenyl]carbonylamino]azanium
PDB code: 6etg(A).


 
18. Ligand: BWZ × 1
[[3-(2~{h}-1,2,3,4-Tetrazol-5-Yl) phenyl]carbonylamino]azanium
PDB code: 6etu(A).


 
19. Ligand: BX5 × 1
[4-(2~{h}-1,2,3,4-Tetrazol-5-Yl)butanoylamino]azanium
PDB code: 6etw(A).


 
20. Ligand: BXE × 1
[3-(2~{h}-1,2,3,4-Tetrazol-5-Yl)propanoylamino]azanium
PDB code: 6etv(A).

 + more. Press for full list
 

 

 Cluster 2 contains 10 ligand types

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

_Mg
 
1. Metal: _MG × 223
PDB codes: 5ph0(A), 5pho(A), 5php(A), 5phq(A), 5phr(A), 5phs(A), 5pht(A), 5phu(A), 5phv(A), 5phw(A), 5phx(A), 5phy(A), 5phz(A), 5pi0(A), 5pi1(A), 5pi2(A), 5pi3(A), 5pi4(A), 5pi5(A), 5pi6(A), 5pi7(A), 5pi8(A), 5pi9(A), 5pia(A), 5pib(A), 5pic(A), 5pid(A), 5pie(A), 5pif(A), 5pig(A), 5pih(A), 5pii(A), 5pij(A), 5pik(A), 5pil(A), 5pim(A), 5pin(A), 5pio(A), 5pip(A), 5piq(A), 5pir(A), 5pis(A), 5pit(A), 5piu(A), 5piv(A), 5pix(A), 5piy(A), 5piz(A), 5pj0(A), 5pj1(A), 5pj2(A), 5pj3(A), 5pj4(A), 5pj5(A), 5pj6(A), 5pj7(A), 5pj8(A), 5pj9(A), 5pja(A), 5pjb(A), 5pjc(A), 5pjd(A), 5pje(A), 5pjf(A), 5pjg(A), 5pjh(A), 5pji(A), 5pjj(A), 5pjk(A), 5pjl(A), 5pjm(A), 5pjn(A), 5pjo(A), 5pjp(A), 5pjq(A), 5pjr(A), 5pjs(A), 5pjt(A), 5pju(A), 5pjv(A), 5pjw(A), 5pjx(A), 5pjy(A), 5pjz(A), 5pk0(A), 5pk1(A), 5pk2(A), 5pk3(A), 5pk4(A), 5pk5(A), 5pk6(A), 5pk7(A), 5pk8(A), 5pk9(A), 5pka(A), 5pkb(A), 5pkc(A), 5pkd(A), 5pke(A), 5pkf(A), 5pkg(A), 5pkh(A), 5pki(A), 5pkj(A), 5pkk(A), 5pkl(A), 5pkm(A), 5pkn(A), 5pko(A), 5pkp(A), 5pkq(A), 5pkr(A), 5pks(A), 5pkt(A), 5pku(A), 5pkv(A), 5pkw(A), 5pkx(A), 5pky(A), 5pkz(A), 5pl0(A), 5pl1(A), 5pl2(A), 5pl3(A), 5pl4(A), 5pl5(A), 5pl6(A), 5pl7(A), 5pl8(A), 5pl9(A), 5pla(A), 5plb(A), 5plc(A), 5pld(A), 5ple(A), 5plf(A), 5plg(A), 5plh(A), 5pli(A), 5plj(A), 5plk(A), 5pll(A), 5plm(A), 5pln(A), 5plo(A), 5plp(A), 5plq(A), 5plr(A), 5pls(A), 5plt(A), 5plu(A), 5plv(A), 5plw(A), 5plx(A), 5ply(A), 5plz(A), 5pm0(A), 5pm1(A), 5pm2(A), 5pm3(A), 5pm4(A), 5pm5(A), 5pm6(A), 5pm7(A), 5pm8(A), 5pm9(A), 5pma(A), 5pmb(A), 5pmc(A), 5pmd(A), 5pme(A), 5pmf(A), 5pmg(A), 5pmh(A), 5pmi(A), 5pmj(A), 5pmk(A), 5pml(A), 5pmm(A), 5pmn(A), 5pmo(A), 5pmp(A), 5pmq(A), 5pmr(A), 5pms(A), 5pmt(A), 5pmu(A), 5pmv(A), 5pmw(A), 5pmx(A), 5pmy(A), 5pmz(A), 5pn1(A), 5pn2(A), 5pn3(A), 5pn4(A), 5pn5(A), 5pn6(A), 5pn7(A), 5pn8(A), 5pn9(A), 5pna(A), 5pnb(A), 5pnc(A), 5pnd(A), 5pne(A), 5pnf(A), 5png(A), 5pnh(A), 5pni(A), 5pnj(A), 5pnk(A), 5pnl(A), 5pnm(A), 5pnn(A), 5pno(A), 5pnp(A), 5pnq(A), 5pnr(A), 5pns(A), 5pnu(A), 5pnv(A), 5pnw(A).


 
2. Ligand: GOL × 2
glycerin
Glycerol
PDB codes: 6etv(A), 6etw(A).


 
3. Ligand: SO4 × 265
Sulfate ion
PDB codes: 5fp4(A), 5fp7(A), 5fp8(A), 5fp9(A), 5fpa(A), 5fpb(A), 5ph0(A), 5ph1(A), 5ph2(A), 5ph3(A), 5ph4(A), 5ph5(A), 5ph6(A), 5ph7(A), 5ph8(A), 5ph9(A), 5pha(A), 5phb(A), 5phc(A), 5phd(A), 5phe(A), 5phf(A), 5phg(A), 5phh(A), 5phi(A), 5phj(A), 5phk(A), 5phl(A), 5phm(A), 5phn(A), 5pho(A), 5php(A), 5phq(A), 5phr(A), 5phs(A), 5pht(A), 5phu(A), 5phv(A), 5phw(A), 5phx(A), 5phy(A), 5phz(A), 5pi0(A), 5pi1(A), 5pi2(A), 5pi3(A), 5pi4(A), 5pi5(A), 5pi6(A), 5pi7(A), 5pi8(A), 5pi9(A), 5pia(A), 5pib(A), 5pic(A), 5pid(A), 5pie(A), 5pif(A), 5pig(A), 5pih(A), 5pii(A), 5pij(A), 5pik(A), 5pil(A), 5pim(A), 5pin(A), 5pio(A), 5pip(A), 5piq(A), 5pir(A), 5pis(A), 5pit(A), 5piu(A), 5piv(A), 5piw(A), 5pix(A), 5piy(A), 5piz(A), 5pj0(A), 5pj1(A), 5pj2(A), 5pj3(A), 5pj4(A), 5pj5(A), 5pj6(A), 5pj7(A), 5pj8(A), 5pj9(A), 5pja(A), 5pjb(A), 5pjc(A), 5pjd(A), 5pje(A), 5pjf(A), 5pjg(A), 5pjh(A), 5pji(A), 5pjj(A), 5pjk(A), 5pjl(A), 5pjm(A), 5pjn(A), 5pjo(A), 5pjp(A), 5pjq(A), 5pjr(A), 5pjs(A), 5pjt(A), 5pju(A), 5pjv(A), 5pjw(A), 5pjx(A), 5pjy(A), 5pjz(A), 5pk0(A), 5pk1(A), 5pk2(A), 5pk3(A), 5pk4(A), 5pk5(A), 5pk6(A), 5pk7(A), 5pk8(A), 5pk9(A), 5pka(A), 5pkb(A), 5pkc(A), 5pkd(A), 5pke(A), 5pkf(A), 5pkg(A), 5pkh(A), 5pki(A), 5pkj(A), 5pkk(A), 5pkl(A), 5pkm(A), 5pkn(A), 5pko(A), 5pkp(A), 5pkq(A), 5pkr(A), 5pks(A), 5pkt(A), 5pku(A), 5pkv(A), 5pkw(A), 5pkx(A), 5pky(A), 5pkz(A), 5pl0(A), 5pl1(A), 5pl2(A), 5pl3(A), 5pl4(A), 5pl5(A), 5pl6(A), 5pl7(A), 5pl8(A), 5pl9(A), 5pla(A), 5plb(A), 5plc(A), 5pld(A), 5ple(A), 5plf(A), 5plg(A), 5plh(A), 5pli(A), 5plj(A), 5plk(A), 5pll(A), 5plm(A), 5pln(A), 5plo(A), 5plp(A), 5plq(A), 5plr(A), 5pls(A), 5plt(A), 5plu(A), 5plv(A), 5plw(A), 5plx(A), 5ply(A), 5plz(A), 5pm0(A), 5pm1(A), 5pm2(A), 5pm3(A), 5pm4(A), 5pm5(A), 5pm6(A), 5pm7(A), 5pm8(A), 5pm9(A), 5pma(A), 5pmb(A), 5pmc(A), 5pmd(A), 5pme(A), 5pmf(A), 5pmg(A), 5pmh(A), 5pmi(A), 5pmj(A), 5pmk(A), 5pml(A), 5pmm(A), 5pmn(A), 5pmo(A), 5pmp(A), 5pmq(A), 5pmr(A), 5pms(A), 5pmt(A), 5pmu(A), 5pmv(A), 5pmw(A), 5pmx(A), 5pmy(A), 5pmz(A), 5pn0(A), 5pn1(A), 5pn2(A), 5pn3(A), 5pn4(A), 5pn5(A), 5pn6(A), 5pn7(A), 5pn8(A), 5pn9(A), 5pna(A), 5pnb(A), 5pnc(A), 5pnd(A), 5pne(A), 5pnf(A), 5png(A), 5pnh(A), 5pni(A), 5pnj(A), 5pnk(A), 5pnl(A), 5pnm(A), 5pnn(A), 5pno(A), 5pnp(A), 5pnq(A), 5pnr(A), 5pns(A), 5pnu(A), 5pnv(A), 5pnw(A), 6etg(A), 6ets(A), 6ett(A), 6f5q(A), 6f5r(A), 6f5s(A), 6f5t(A),


 
4. Ligand: EDO × 248
1,2-Ethanediol
PDB codes: 4d6s(A), 5f5a(A), 5f5c(A), 5ph0(A), 5ph1(A), 5ph3(A), 5ph4(A), 5ph5(A), 5ph6(A), 5ph7(A), 5ph9(A), 5pha(A), 5phb(A), 5phc(A), 5phd(A), 5phe(A), 5phf(A), 5phg(A), 5phj(A), 5phk(A), 5phl(A), 5phm(A), 5phn(A), 5pho(A), 5php(A), 5phq(A), 5phr(A), 5phs(A), 5pht(A), 5phu(A), 5phv(A), 5phw(A), 5phx(A), 5phy(A), 5phz(A), 5pi0(A), 5pi1(A), 5pi2(A), 5pi3(A), 5pi4(A), 5pi5(A), 5pi6(A), 5pi7(A), 5pi8(A), 5pi9(A), 5pia(A), 5pib(A), 5pic(A), 5pid(A), 5pie(A), 5pif(A), 5pig(A), 5pih(A), 5pii(A), 5pij(A), 5pik(A), 5pil(A), 5pim(A), 5pin(A), 5pio(A), 5pip(A), 5piq(A), 5pir(A), 5pis(A), 5pit(A), 5piu(A), 5piv(A), 5piw(A), 5pix(A), 5piy(A), 5piz(A), 5pj0(A), 5pj1(A), 5pj2(A), 5pj3(A), 5pj4(A), 5pj5(A), 5pj6(A), 5pj7(A), 5pj8(A), 5pj9(A), 5pja(A), 5pjb(A), 5pjc(A), 5pjd(A), 5pje(A), 5pjf(A), 5pjg(A), 5pjh(A), 5pji(A), 5pjj(A), 5pjk(A), 5pjl(A), 5pjm(A), 5pjn(A), 5pjo(A), 5pjp(A), 5pjq(A), 5pjr(A), 5pjs(A), 5pjt(A), 5pju(A), 5pjv(A), 5pjw(A), 5pjx(A), 5pjy(A), 5pjz(A), 5pk0(A), 5pk1(A), 5pk2(A), 5pk3(A), 5pk4(A), 5pk5(A), 5pk6(A), 5pk7(A), 5pk8(A), 5pk9(A), 5pka(A), 5pkb(A), 5pkc(A), 5pkd(A), 5pke(A), 5pkf(A), 5pkg(A), 5pkh(A), 5pki(A), 5pkj(A), 5pkk(A), 5pkl(A), 5pkm(A), 5pkn(A), 5pko(A), 5pkp(A), 5pkq(A), 5pkr(A), 5pks(A), 5pkt(A), 5pku(A), 5pkv(A), 5pkw(A), 5pkx(A), 5pky(A), 5pkz(A), 5pl0(A), 5pl1(A), 5pl2(A), 5pl3(A), 5pl4(A), 5pl5(A), 5pl6(A), 5pl7(A), 5pl8(A), 5pl9(A), 5pla(A), 5plb(A), 5plc(A), 5pld(A), 5ple(A), 5plf(A), 5plg(A), 5plh(A), 5pli(A), 5plj(A), 5plk(A), 5pll(A), 5plm(A), 5pln(A), 5plo(A), 5plp(A), 5plq(A), 5plr(A), 5pls(A), 5plt(A), 5plu(A), 5plv(A), 5plw(A), 5plx(A), 5ply(A), 5plz(A), 5pm0(A), 5pm1(A), 5pm2(A), 5pm3(A), 5pm4(A), 5pm5(A), 5pm6(A), 5pm7(A), 5pm8(A), 5pm9(A), 5pma(A), 5pmb(A), 5pmc(A), 5pmd(A), 5pme(A), 5pmf(A), 5pmg(A), 5pmh(A), 5pmi(A), 5pmj(A), 5pmk(A), 5pml(A), 5pmm(A), 5pmn(A), 5pmo(A), 5pmp(A), 5pmq(A), 5pmr(A), 5pms(A), 5pmt(A), 5pmu(A), 5pmv(A), 5pmw(A), 5pmx(A), 5pmy(A), 5pmz(A), 5pn0(A), 5pn1(A), 5pn2(A), 5pn3(A), 5pn4(A), 5pn5(A), 5pn6(A), 5pn7(A), 5pn8(A), 5pn9(A), 5pna(A), 5pnb(A), 5pnc(A), 5pnd(A), 5pne(A), 5pnf(A), 5png(A), 5pnh(A), 5pni(A), 5pnj(A), 5pnk(A), 5pnl(A), 5pnm(A), 5pnn(A), 5pno(A), 5pnp(A), 5pnq(A), 5pnr(A), 5pns(A), 5pnu(A), 5pnv(A), 5pnw(A), 6ete(A).


 
5. Ligand: 5VL × 1
2-(2-Hydroxyphenyl)phenol
PDB code: 5phc(A).


 
6. Ligand: 8P4 × 1
1-(4-Fluorophenyl)thiourea
PDB code: 5phg(A).


 
7. Ligand: AC6 × 1
P-Hydroxyacetophenone
PDB code: 5phn(A).


 
8. Ligand: FHQ × 1
~{N}-[(~{E})-(4-Bromophenyl)methylideneamino]-2-(2~{h}- 1,2,3,4-Tetrazol-5-Yl)ethanamide
PDB code: 6h0z(A).


 
9. Ligand: FJ8 × 1
~{N}-[(~{E})-(4-Methylphenyl)methylideneamino]-2- (2~{h}-1,2,3,4-Tetrazol-5-Yl)ethanamide
PDB code: 6h10(A).


 
10. Ligand: NO3 × 1
Nitrate ion
PDB code: 4hon(A).

 

 Cluster 3 contains 9 ligand types

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


 
1. Ligand: GOL × 2
glycerin
Glycerol
PDB codes: 5fp4(A), 5fp7(A).


 
2. Ligand: EDO × 14
1,2-Ethanediol
PDB codes: 4d6s(A), 5f5a(A), 6ets(A), 6ett(A), 6etv(A), 6etw(A), 6f5q(A), 6f5r(A), 6h0w(A), 6h0y(A), 6h10(A), 6h11(A).


 
3. Ligand: EPE × 3
4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid
PDB codes: 6f5t(A), 6h10(A).


 
4. Ligand: SO4 × 2
Sulfate ion
PDB codes: 6ett(A), 6etw(A).


 
5. Ligand: 8PJ × 1
3-Nitropyridin-2-Ol
PDB code: 5phj(A).


 
6. Ligand: ACT × 1
Acetate ion
PDB code: 4hoo(A).


 
7. Ligand: IEJ × 1
O-Toluenesulfonamide
PDB code: 4d6r(A).


 
8. Ligand: PDO × 1
1,3-Propandiol
PDB code: 4hon(A).


 
9. Ligand: URS × 1
N-Phenylthiourea
PDB code: 5phf(A).

 

 Cluster 4 contains 6 ligand types

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


 
1. Ligand: 2HQ × 1
5-Chloro-1h-Indole-2,3-Dione
PDB code: 5phl(A).


 
2. Ligand: 72V × 1
1-Methylindole-2,3-Dione
PDB code: 5ph7(A).


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


 
4. Ligand: FBB × 1
6-Fluoro-1,3-Benzothiazol-2-Amine
PDB code: 5ph1(A).


 
5. Ligand: ISN × 1
Isatin
PDB code: 5ph6(A).


 
6. Ligand: MEW × 1
2-Methylquinazolin-4(3h)-One
PDB code: 5pha(A).

 

 Cluster 5 contains 6 ligand types

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


 
1. Ligand: EDO × 5
1,2-Ethanediol
PDB codes: 4d6r(A), 5f5a(A), 5phm(A), 6etu(A).


 
2. Ligand: IEJ × 3
O-Toluenesulfonamide
PDB codes: 4d6r(A), 5phm(A),


 
3. Ligand: SO4 × 3
Sulfate ion
PDB codes: 6etg(A), 6ets(A), 6h0z(A).


 
4. Ligand: EPE × 2
4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid
PDB codes: 6etv(A), 6h0w(A).


 
5. Ligand: ACT × 1
Acetate ion
PDB code: 4hoo(A).


 
6. Ligand: MEW × 1
2-Methylquinazolin-4(3h)-One
PDB code: 5pha(A).

 

 Cluster 6 contains 6 ligand types

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


 
1. Ligand: GOL × 2
glycerin
Glycerol
PDB codes: 3dxt(A), 3dxu(A).


 
2. Ligand: EDO × 248
1,2-Ethanediol
PDB codes: 4d6s(A), 5f5a(A), 5ph0(A), 5ph1(A), 5ph2(A), 5ph3(A), 5ph4(A), 5ph5(A), 5ph8(A), 5ph9(A), 5pha(A), 5phb(A), 5phc(A), 5phd(A), 5phe(A), 5phf(A), 5phg(A), 5phh(A), 5phi(A), 5phj(A), 5phk(A), 5phl(A), 5phm(A), 5phn(A), 5pho(A), 5php(A), 5phq(A), 5phr(A), 5phs(A), 5pht(A), 5phu(A), 5phv(A), 5phw(A), 5phx(A), 5phy(A), 5phz(A), 5pi0(A), 5pi1(A), 5pi2(A), 5pi3(A), 5pi4(A), 5pi5(A), 5pi6(A), 5pi7(A), 5pi8(A), 5pi9(A), 5pia(A), 5pib(A), 5pic(A), 5pid(A), 5pie(A), 5pif(A), 5pig(A), 5pih(A), 5pii(A), 5pij(A), 5pik(A), 5pil(A), 5pim(A), 5pin(A), 5pio(A), 5pip(A), 5piq(A), 5pir(A), 5pis(A), 5pit(A), 5piu(A), 5piv(A), 5piw(A), 5pix(A), 5piy(A), 5piz(A), 5pj0(A), 5pj1(A), 5pj2(A), 5pj3(A), 5pj4(A), 5pj5(A), 5pj6(A), 5pj7(A), 5pj8(A), 5pj9(A), 5pja(A), 5pjb(A), 5pjc(A), 5pjd(A), 5pje(A), 5pjf(A), 5pjg(A), 5pjh(A), 5pji(A), 5pjj(A), 5pjk(A), 5pjl(A), 5pjm(A), 5pjn(A), 5pjo(A), 5pjp(A), 5pjq(A), 5pjr(A), 5pjs(A), 5pjt(A), 5pju(A), 5pjv(A), 5pjw(A), 5pjx(A), 5pjy(A), 5pjz(A), 5pk0(A), 5pk1(A), 5pk2(A), 5pk3(A), 5pk4(A), 5pk5(A), 5pk6(A), 5pk7(A), 5pk8(A), 5pk9(A), 5pka(A), 5pkb(A), 5pkc(A), 5pkd(A), 5pke(A), 5pkf(A), 5pkg(A), 5pkh(A), 5pki(A), 5pkj(A), 5pkk(A), 5pkl(A), 5pkm(A), 5pkn(A), 5pko(A), 5pkp(A), 5pkq(A), 5pkr(A), 5pks(A), 5pkt(A), 5pku(A), 5pkv(A), 5pkw(A), 5pkx(A), 5pky(A), 5pkz(A), 5pl0(A), 5pl1(A), 5pl2(A), 5pl3(A), 5pl4(A), 5pl5(A), 5pl6(A), 5pl7(A), 5pl8(A), 5pl9(A), 5pla(A), 5plb(A), 5plc(A), 5pld(A), 5ple(A), 5plf(A), 5plg(A), 5plh(A), 5pli(A), 5plj(A), 5plk(A), 5pll(A), 5plm(A), 5pln(A), 5plo(A), 5plp(A), 5plq(A), 5plr(A), 5pls(A), 5plt(A), 5plu(A), 5plv(A), 5plw(A), 5plx(A), 5ply(A), 5plz(A), 5pm0(A), 5pm1(A), 5pm2(A), 5pm3(A), 5pm4(A), 5pm5(A), 5pm6(A), 5pm7(A), 5pm8(A), 5pm9(A), 5pma(A), 5pmb(A), 5pmc(A), 5pmd(A), 5pme(A), 5pmf(A), 5pmg(A), 5pmh(A), 5pmi(A), 5pmj(A), 5pmk(A), 5pml(A), 5pmm(A), 5pmn(A), 5pmo(A), 5pmp(A), 5pmq(A), 5pmr(A), 5pms(A), 5pmt(A), 5pmu(A), 5pmv(A), 5pmw(A), 5pmx(A), 5pmy(A), 5pmz(A), 5pn0(A), 5pn1(A), 5pn2(A), 5pn3(A), 5pn4(A), 5pn5(A), 5pn6(A), 5pn7(A), 5pn8(A), 5pn9(A), 5pna(A), 5pnb(A), 5pnc(A), 5pnd(A), 5pne(A), 5pnf(A), 5png(A), 5pnh(A), 5pni(A), 5pnj(A), 5pnk(A), 5pnl(A), 5pnm(A), 5pnn(A), 5pno(A), 5pnp(A), 5pnq(A), 5pnr(A), 5pns(A), 5pnu(A), 5pnv(A), 5pnw(A).


 
3. Ligand: 1XN × 1
2h-Isoindole-1,3-Diamine
PDB code: 5ph8(A).


 
4. Ligand: 4NC × 1
4-Nitrocatechol
PDB code: 5phd(A).


 
5. Ligand: IEJ × 1
O-Toluenesulfonamide
PDB code: 5phm(A).


 
6. Ligand: PDO × 1
1,3-Propandiol
PDB code: 4hon(A).

 

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