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Ligand clusters for UniProt code P00760

Ligand clusters for P00760: Cationic trypsin from Bos taurus

Top 6 (of 21) ligand clusters
Cluster 1.
247 ligand types
1675 ligands
 Cluster 2.
15 ligand types
76 ligands
 Cluster 3.
16 ligand types
75 ligands
 Cluster 4.
9 ligand types
55 ligands
 Cluster 5.
9 ligand types
102 ligands
 Cluster 6.
11 ligand types
69 ligands
Representative protein: 6dwrA  
JSmol
 

Structures

PDB   Schematic diagram
6dwrA    
3v12A    
5gxpA    
1tgsZ    
1zr0A    
 more ...

 

 Cluster 1 contains 247 ligand types (of which only 20 are listed. Click for all)

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Ligand Description


 
1. Ligand: DMS × 134
dimethyl sulfoxide
Dimethyl sulfoxide
PDB codes: 1bju(A), 1bjv(A), 1c1p(A), 1c1r(A), 1c2f(A), 1c2g(A), 1c2i(A), 2zdk(A), 2zfs(A), 2zft(A), 3a8b(A), 3ati(A), 3atk(A), 3atl(A), 3atm(A), 3nk8(A), 3nkk(A), 3rxb(A), 3rxc(A), 3rxd(A), 3rxf(A), 3rxg(A), 3rxh(A), 3rxi(A), 3rxj(A), 3rxk(A), 3rxl(A), 3rxm(A), 3rxo(A), 3rxp(A), 3rxq(A), 3rxr(A), 3rxs(A), 3rxt(A), 3rxu(A), 3rxv(A), 4ab9(A), 4aba(A), 4abb(A), 4abe(A), 4abf(A), 4abh(A), 5lh4(A), 5lh8(A), 6sy3(A), 6t0m(A), 6t0p(A), 6t5w(A), 6t9v(A), 6yis(A), 6yit(A), 6yiu(A), 6yiv(A), 6yiw(A), 6yix(A), 6yiy(A), 6zfj(A), 6zfk(A), 7brv(A), 7bs3(A), 7bs4(A), 7bs5(A), 7bs6(A), 7bs7(A), 7bs9(A).


 
2. Ligand: GOL × 73
glycerin
Glycerol
PDB codes: 1yp9(A), 2ayw(A), 2zdk(A), 2zdl(A), 2zdm(A), 2zdn(A), 2zft(A), 2zhd(A), 2zq1(A), 2zq2(A), 3a7x(A), 3a8b(A), 3a8d(A), 3e8l(A), 3pwb(A), 3ru4(T), 3rxa(A), 3rxc(A), 3rxd(A), 3rxe(A), 3rxf(A), 3rxg(A), 3rxh(A), 3rxi(A), 3rxj(A), 3rxk(A), 3rxl(A), 3rxm(A), 3rxo(A), 3rxp(A), 3unq(A), 3unr(A), 3uwi(A), 3v12(A), 4abi(A), 4abj(A), 4aor(A), 4b1t(A), 4b2a(A), 4b2b(A), 4b2c(A), 4hgc(A), 4yta(A), 5gxp(A), 6bvh(A), 7bsa(A),

_Zn
 
3. Metal: _ZN × 19
PDB codes: 1c1n(A), 1c1r(A), 1c2d(A), 1c2e(A), 1c2f(A), 1c2g(A), 1c2h(A), 1c2i(A), 1c2j(A), 1c2k(A), 1c2l(A), 1c2m(A), 1gi4(A), 1xug(A), 4nix(A).

_Mg
 
4. Metal: _MG × 18
PDB codes: 1c1o(A), 1c1p(A), 1c1q(A), 1c1r(A), 1c1t(A), 1c2d(A), 1c2e(A), 1c2f(A), 1c2g(A), 1c2h(A), 1c2j(A), 1c2m(A), 1c5p(A), 1c5u(A), 1c5v(A), 1g3b(A), 1ghz(A), 1gi0(A).


 
5. Ligand: SIN × 2
succinic acid
Succinic acid
PDB codes: 5gib(A), 5jyi(A).

__K
 
6. Metal: __K × 2
PDB codes: 1qb6(A), 1qb9(A).


 
7. Ligand: 4AP × 1
dalfampridine
4-Aminopyridine
PDB code: 3rxf(A).


 
8. Ligand: AMH × 1
tranexamic acid
Trans-4-Aminomethylcyclohexane-1-Carboxylic acid
PDB code: 6yzc(A).


 
9. Ligand: CYS × 1
cysteine
PDB code: 6eav(A).


 
10. Ligand: E4B × 1
ethyl hydroxybenzoate
Ethyl 4-Hydroxybenzoate
PDB code: 3vpk(A).


 
11. Ligand: HSM × 1
histamine
Histamine
PDB code: 3rxh(A).


 
12. Ligand: NCA × 1
nicotinamide
Nicotinamide
PDB code: 2otv(A).


 
13. Ligand: PNT × 1
pentamidine
1,5-Bis(4-Amidinophenoxy)pentane
PDB code: 3gy3(A).


 
14. Ligand: TRS × 1
tromethamine
2-Amino-2-Hydroxymethyl-Propane-1,3-Diol
PDB code: 1utn(A).

_Ca
 
15. Metal: _CA × 450
PDB codes: 1auj(A), 1bju(A), 1bjv(A), 1btp(A), 1btw(A), 1bty(A), 1btz(A), 1c1n(A), 1c1o(A), 1c1p(A), 1c1q(A), 1c1r(A), 1c1s(A), 1c1t(A), 1c2d(A), 1c2e(A), 1c2f(A), 1c2g(A), 1c2h(A), 1c2i(A), 1c2j(A), 1c2k(A), 1c2l(A), 1c2m(A), 1c5p(A), 1c5q(A), 1c5r(A), 1c5s(A), 1c5t(A), 1c5u(A), 1c5v(A), 1ce5(A), 1eb2(A), 1f0t(A), 1f0u(A), 1f2s(E), 1g36(A), 1g3b(A), 1g3c(A), 1g3d(A), 1g3e(A), 1g9i(E), 1gbt(A), 1ghz(A), 1gi0(A), 1gi1(A), 1gi2(A), 1gi3(A), 1gi4(A), 1gi5(A), 1gi6(A), 1gj6(A), 1hj9(A), 1j8a(A), 1jir(A), 1jrs(A), 1jrt(A), 1k1i(A), 1k1j(A), 1k1l(A), 1k1m(A), 1k1n(A), 1k1o(A), 1k1p(A), 1lqe(A), 1max(A), 1may(A), 1mts(A), 1mtu(A), 1mtv(A), 1mtw(A), 1n6x(A), 1n6y(A), 1nc6(A), 1o2h(A), 1o2i(A), 1o2j(A), 1o2k(A), 1o2l(A), 1o2m(A), 1o2n(A), 1o2o(A), 1o2p(A), 1o2q(A), 1o2r(A), 1o2s(A), 1o2t(A), 1o2u(A), 1o2v(A), 1o2w(A), 1o2x(A), 1o2y(A), 1o2z(A), 1o30(A), 1o31(A), 1o32(A), 1o33(A), 1o34(A), 1o35(A), 1o36(A), 1o37(A), 1o38(A), 1o39(A), 1o3a(A), 1o3b(A), 1o3c(A), 1o3d(A), 1o3e(A), 1o3f(A), 1o3g(A), 1o3h(A), 1o3i(A), 1o3j(A), 1o3k(A), 1o3l(A), 1o3m(A), 1o3n(A), 1o3o(A), 1ox1(A), 1oyq(A), 1p2i(A), 1p2j(A), 1p2k(A), 1ppc(E), 1pph(E), 1qa0(A), 1qb1(A), 1qb6(A), 1qb9(A), 1qbn(A), 1qbo(A), 1qcp(A), 1ql7(A), 1ql8(A), 1rxp(A), 1s0q(A), 1s0r(A), 1sbw(A), 1sfi(A), 1smf(E), 1taw(A), 1tgb(A), 1tgc(A), 1tgs(Z), 1tgt(A), 1tio(A), 1tld(A), 1tng(A), 1tnh(A), 1tni(A), 1tnj(A), 1tnl(A), 1tpa(E), 1tpo(A), 1tpp(A), 1tps(A), 1tx7(A), 1tx8(A), 1utn(A), 1uto(A), 1utp(A), 1utq(A), 1v2j(T), 1v2k(T), 1v2l(T), 1v2n(T), 1v2o(T), 1v2p(T), 1v2q(T), 1v2r(T), 1v2s(T), 1v2t(T), 1v2u(T), 1v2v(T), 1v2w(T), 1xuf(A), 1xug(A), 1xuh(A), 1xui(A), 1xuj(A), 1xuk(A), 1y3u(A), 1y3v(A), 1y3w(A), 1y3x(A), 1y3y(A), 1y59(T), 1y5a(T), 1y5b(T), 1y5u(T), 1yp9(A), 1yyy(1), 1zr0(A), 1zzz(A), 2a7h(A), 2age(X), 2agg(X), 2agi(X), 2ah4(X), 2ayw(A), 2blv(A), 2blw(A), 2btc(E), 2by5(X), 2by6(X), 2by7(X), 2by8(X), 2by9(X), 2bya(X), 2bza(A), 2cmy(A), 2d8w(A), 2f3c(E), 2fi3(E), 2fi4(E), 2fi5(E), 2ftl(E), 2ftm(A), 2fx4(A), 2fx6(A), 2g55(A), 2g5n(A), 2g5v(A), 2g81(E), 2g8t(A), 2j9n(A), 2o9q(A), 2otv(A), 2oxs(A), 2plx(A), 2ptc(E), 2ptn(A), 2qyi(A), 2tga(A), 2tgd(A), 2tgp(Z), 2tgt(A), 2tio(A), 2uuy(A), 2xtt(B), 2zdk(A), 2zdl(A), 2zdm(A), 2zdn(A), 2zfs(A), 2zft(A), 2zhd(A), 2zq1(A), 2zq2(A), 3a7t(A), 3a7v(A), 3a7w(A), 3a7x(A), 3a7y(A), 3a7z(A), 3a80(A), 3a81(A), 3a82(A), 3a83(A), 3a84(A), 3a85(A), 3a86(A), 3a87(A), 3a88(A), 3a89(A), 3a8a(A), 3a8b(A), 3a8c(A), 3a8d(A), 3aas(A), 3aau(A), 3aav(A), 3ati(A), 3atk(A), 3atl(A), 3atm(A), 3btd(E), 3bte(E), 3btf(E), 3btg(E), 3bth(E), 3btk(E), 3btm(E), 3btq(E), 3btt(E), 3btw(E), 3d65(E), 3e8l(A), 3gy2(A), 3gy3(A), 3gy4(A), 3gy5(A), 3gy6(A), 3gy7(A), 3gy8(A), 3i29(A), 3iti(A), 3ljj(A), 3ljo(A), 3m35(A), 3mfj(A), 3mi4(A), 3nk8(A), 3nkk(A), 3otj(E), 3plb(A), 3plk(A), 3plp(A), 3pm3(A), 3pmj(A), 3ptb(A), 3ptn(A), 3pwb(A), 3pwc(A), 3pyh(A), 3q00(A), 3qk1(A), 3rdz(A), 3ru4(T), 3rxa(A), 3rxb(A), 3rxc(A), 3rxd(A), 3rxe(A), 3rxf(A), 3rxg(A), 3rxh(A), 3rxi(A), 3rxj(A), 3rxk(A), 3rxl(A), 3rxm(A), 3rxo(A), 3rxp(A), 3rxq(A), 3rxr(A), 3rxs(A), 3rxt(A), 3rxu(A), 3rxv(A), 3t25(A), 3t26(A), 3t27(A), 3t28(A), 3t29(A), 3tpi(Z), 3unq(A), 3unr(A), 3uns(A), 3uop(A), 3upe(A), 3uqo(A), 3uqv(A), 3uuz(A), 3uwi(A), 3uy9(A), 3v0x(A), 3v12(A), 3v13(A), 3veq(B), 3vpk(A), 4ab8(A), 4ab9(A), 4aba(A), 4abb(A), 4abd(A), 4abe(A), 4abf(A), 4abg(A), 4abh(A), 4abi(A), 4abj(A), 4aoq(A), 4aor(A), 4b1t(A), 4b2a(A), 4b2b(A), 4b2c(A), 4gux(A), 4hgc(A), 4i8g(A), 4i8h(A), 4i8j(A), 4i8k(A), 4i8l(A), 4kts(A), 4ktu(A), 4mtb(A), 4ncy(A), 4niv(A), 4niw(A), 4nix(A), 4niy(A), 4tpi(Z), 4tpy(A), 4u2w(A), 4xoj(A), 4y0y(E), 4y0z(E), 4y10(E), 4y11(E), 4yta(A), 5eg4(A), 5f6m(A), 5fxl(A), 5gib(A), 5gxp(A), 5jyi(A), 5k7r(A), 5lgo(A), 5lh4(A), 5lh8(A), 5mn1(A), 5mna(A), 5mnb(A), 5mnc(A), 5mne(A), 5mnf(A), 5mng(A), 5mnh(A), 5mnk(A), 5mnl(A), 5mnm(A), 5mnn(A), 5mno(A), 5mnp(A), 5mnq(A), 5mnx(A), 5mny(A), 5mnz(A), 5mo0(A), 5mo1(A), 5mo2(A), 5mon(A), 5moo(A), 5mop(A), 5moq(A), 5mor(A), 5mos(A), 5ptp(A), 5t3h(A), 6bfp(A), 6bvh(A), 6fid(A).


 
16. Ligand: SO4 × 390
Sulfate ion
PDB codes: 1bju(A), 1bjv(A), 1c1n(A), 1c1o(A), 1c1p(A), 1c1q(A), 1c1t(A), 1c5p(A), 1c5r(A), 1c5s(A), 1c5u(A), 1ce5(A), 1ejm(A), 1f0t(A), 1f0u(A), 1g36(A), 1g3b(A), 1g3c(A), 1g3d(A), 1g3e(A), 1g9i(E), 1ghz(A), 1gi0(A), 1gi1(A), 1gi2(A), 1gi5(A), 1gi6(A), 1hj9(A), 1j8a(A), 1jir(A), 1k1j(A), 1k1l(A), 1k1m(A), 1n6x(A), 1n6y(A), 1o2i(A), 1o2j(A), 1o2k(A), 1o2n(A), 1o2o(A), 1o2p(A), 1o2q(A), 1o2r(A), 1o35(A), 1o38(A), 1oyq(A), 1p2j(A), 1pph(E), 1ql7(A), 1ql8(A), 1rxp(A), 1sfi(A), 1tgs(Z), 1tio(A), 1tld(A), 1tpp(A), 1utn(A), 1v2j(T), 1v2k(T), 1v2l(T), 1v2m(T), 1v2o(T), 1v2p(T), 1v2q(T), 1v2r(T), 1v2s(T), 1v2t(T), 1v2u(T), 1v2v(T), 1v2w(T), 1xuk(A), 1y59(T), 1y5a(T), 1y5b(T), 1y5u(T), 2agi(X), 2ah4(X), 2blv(A), 2blw(A), 2by5(X), 2by6(X), 2by7(X), 2by8(X), 2by9(X), 2bya(X), 2bza(A), 2cmy(A), 2f3c(E), 2fi3(E), 2fi4(E), 2fi5(E), 2ftl(E), 2ftm(A), 2g5n(A), 2g81(E), 2g8t(A), 2o9q(A), 2otv(A), 2oxs(A), 2tio(A), 2zdl(A), 2zhd(A), 3a7t(A), 3a7v(A), 3a7w(A), 3a81(A), 3a82(A), 3a87(A), 3a88(A), 3a89(A), 3a8a(A), 3btd(E), 3bte(E), 3btf(E), 3btg(E), 3bth(E), 3btk(E), 3btm(E), 3btq(E), 3btt(E), 3btw(E), 3gy2(A), 3gy4(A), 3gy5(A), 3gy6(A), 3gy7(A), 3ljj(A), 3ljo(A), 3mfj(A), 3mi4(A), 3otj(E), 3plb(A), 3plk(A), 3pmj(A), 3pwb(A), 3pwc(A), 3pyh(A), 3q00(A), 3qk1(A), 3ru4(T), 3unq(A), 3unr(A), 3uns(A), 3uop(A), 3upe(A), 3uqv(A), 3uwi(A), 3v12(A), 3v13(A), 4ab8(A), 4ab9(A), 4aba(A), 4abb(A), 4abd(A), 4abe(A), 4abf(A), 4abg(A), 4abh(A), 4abi(A), 4abj(A), 4hgc(A), 4i8g(A), 4i8h(A), 4i8j(A), 4i8k(A), 4i8l(A), 4ncy(A), 4u2w(A), 4y0y(E), 4y0z(E), 4y10(E), 4y11(E), 4yta(A), 5eg4(A), 5f6m(A), 5fxl(A), 5lh4(A), 5mn1(A), 5mna(A), 5mnb(A), 5mnc(A), 5mne(A), 5mnf(A), 5mng(A), 5mnh(A), 5mnk(A), 5mnl(A), 5mnm(A), 5mnn(A), 5mno(A), 5mnp(A), 5mnq(A), 5mon(A), 5moo(A), 5mop(A), 5moq(A), 5mor(A), 5mos(A), 5t3h(A), 6avl(A), 6b6n(A), 6b6o(A), 6b6p(A), 6b6q(A), 6b6r(A), 6b6s(A), 6b6t(A), 6bvh(A), 6dzf(A), 6e5m(A), 6eat(A), 6eau(A), 6eaw(A), 6fid(A), 6mrq(A), 6qih(A), 6ql0(A), 6sux(A), 6sv0(A), 6sv6(A), 6sv8(A), 6sv9(A), 6svb(A), 6svd(A), 6svg(A), 6svi(A), 6svj(A), 6svn(A), 6svr(A), 6svu(A), 6svv(A), 6svw(A), 6svx(A), 6svz(A), 6sw0(A), 6xyg(A), 6xyk(A), 6yis(A), 6yit(A), 6yiu(A), 6yiv(A), 6yiw(A), 6yix(A), 6yza(A), 6zfj(A), 6zfk(A), 7ays(A), 7brv(A).


 
17. Ligand: BEN × 76
Benzamidine
PDB codes: 1bty(A), 1ce5(A), 1j8a(A), 1s0r(A), 1v2j(T), 1v2l(T), 1v2m(T), 1v2s(T), 1v2u(T), 1v2v(T), 2blv(A), 2blw(A), 2j9n(A), 2oxs(A), 2tio(A), 3atl(A), 3gy7(A), 3iti(A), 3mfj(A), 3mi4(A), 3plb(A), 3ptb(A), 3pwb(A), 3qk1(A), 3rxe(A), 3rxq(A), 3rxu(A), 3rxv(A), 3t25(A), 3t26(A), 3t27(A), 3t28(A), 3t29(A), 3unq(A), 3unr(A), 3uy9(A), 4i8g(A), 4i8h(A), 4i8j(A), 4i8k(A), 4i8l(A), 4ncy(A), 4tpy(A), 4yta(A), 5f6m(A), 5fxl(A), 5t3h(A), 6avl(A), 6b6n(A), 6b6o(A), 6b6p(A), 6b6q(A), 6b6r(A), 6b6s(A), 6b6t(A), 6dzf(A), 6fid(A), 6sux(A), 6sv0(A), 6sv6(A), 6sv8(A), 6sv9(A), 6svb(A), 6svd(A), 6svg(A), 6svi(A), 6svj(A), 6svn(A), 6svr(A), 6svu(A), 6svv(A), 6svw(A), 6svx(A), 6svz(A), 6sw0(A).


 
18. Ligand: EDO × 70
1,2-Ethanediol
PDB codes: 2fi3(E), 2fi4(E), 2fi5(E), 2ftl(E), 2ftm(A), 3gy2(A), 3gy3(A), 3gy4(A), 3gy5(A), 3gy6(A), 3gy7(A), 3gy8(A), 3qk1(A), 3ru4(T), 3unq(A), 3uwi(A), 4ab8(A), 4ab9(A), 4aba(A), 4abb(A), 4abd(A), 4abe(A), 4abf(A), 4abg(A), 4abh(A), 4b2b(A), 4ncy(A), 4tpy(A), 4u2w(A), 4xoj(A), 6dwr(A), 6ql0(A), 6yza(A), 6yzc(A).


 
19. Ligand: BAM × 19
Benzamidine
PDB codes: 1c1n(A), 1c5p(A), 1tio(A), 2by5(X), 2by6(X), 2by7(X), 2by8(X), 2by9(X), 2bya(X), 5mng(A), 5mnh(A), 5mo0(A), 5moq(A), 6xyg(A), 6xyk(A), 7ays(A), 7bs1(A), 7bs8(A),

_Na
 
20. Metal: _NA × 12
PDB codes: 1c1s(A), 2fi3(E), 2fi4(E), 2fi5(E), 2ftl(E), 2ftm(A), 3e8l(A), 4tpy(A), 4xoj(A).

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 Cluster 2 contains 15 ligand types

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


 
1. Ligand: GOL × 27
glycerin
Glycerol
PDB codes: 2plx(A), 2zhd(A), 2zq2(A), 3a7x(A), 3a86(A), 3a8b(A), 3a8d(A), 3e8l(A), 3pm3(A), 3rxb(A), 3unq(A), 3unr(A), 4abi(A), 4abj(A), 4aor(A), 4b2c(A), 4hgc(A), 4y0z(E), 4y10(E), 4y11(E), 4yta(A), 5t3h(A), 6bvh(A), 6qih(A).


 
2. Ligand: DMS × 16
dimethyl sulfoxide
Dimethyl sulfoxide
PDB codes: 3rxc(A), 3rxq(A), 4aba(A), 5lgo(A), 5mnq(A), 6ql0(A), 6t9v(A), 6yis(A), 6yit(A), 6yiu(A), 6yiv(A), 6yiw(A), 6yiy(A), 7bs3(A), 7bs4(A), 7bs8(A).


 
3. Ligand: EDO × 13
1,2-Ethanediol
PDB codes: 2fi3(E), 2fi4(E), 2fi5(E), 2ftl(E), 2ftm(A), 2g81(E), 3gy6(A), 3gy7(A), 3qk1(A), 4b1t(A), 4u2w(A), 4xoj(A).


 
4. Ligand: IMD × 4
Imidazole
PDB codes: 1y59(T), 1y5a(T), 1y5b(T), 1y5u(T).


 
5. Ligand: MRD × 2
(4r)-2-Methylpentane-2,4-Diol
PDB codes: 6b6n(A), 6b6r(A).


 
6. Ligand: SO4 × 2
Sulfate ion
PDB codes: 1c2m(A), 3pmj(A).


 
7. Ligand: TMO × 2
Trimethylamine oxide
PDB codes: 3t28(A), 3t29(A).

_Br
 
8. Metal: _BR × 2
PDB codes: 4tpy(A),

_Cl
 
9. Metal: _CL × 2
PDB codes: 1cu7(A), 1cu8(A).


 
10. Ligand: 479 × 1
4-Oxo-N-[(1s)-1-(Pyridin-3-Yl)ethyl]-4-(Thiophen-2-Yl) butanamide
PDB code: 6zfk(A).


 
11. Ligand: BET × 1
Trimethyl glycine
PDB code: 3t27(A).


 
12. Ligand: DMF × 1
Dimethylformamide
PDB code: 4abi(A).

Iod
 
13. Metal: IOD × 1
PDB code: 2d8w(A).


 
14. Ligand: SAR × 1
Sarcosine
PDB code: 3t26(A).


 
15. Ligand: XYP × 1
Beta-D-Xylopyranose
PDB code: 6avl(A).

 

 Cluster 3 contains 16 ligand types

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


 
1. Ligand: GOL × 14
glycerin
Glycerol
PDB codes: 1yp9(A), 2cmy(A), 2zdk(A), 3a8b(A), 3qk1(A), 3unr(A), 3uuz(A), 3v13(A), 4abi(A), 4abj(A), 4b2c(A), 4yta(A).


 
2. Ligand: DMS × 2
dimethyl sulfoxide
Dimethyl sulfoxide
PDB codes: 5mnq(A), 7bs3(A).


 
3. Ligand: ACY × 1
acetic acid
Acetic acid
PDB code: 2g81(E).


 
4. Ligand: IPH × 1
phenol
Phenol
PDB code: 2j9n(A).


 
5. Ligand: SO4 × 30
Sulfate ion
PDB codes: 1eb2(A), 1jir(A), 1utn(A), 2agg(X), 2ah4(X), 2f3c(E), 2ftm(A), 2o9q(A), 3gy4(A), 3gy7(A), 3otj(E), 3ru4(T), 3unq(A), 3unr(A), 3v13(A), 4hgc(A), 4ncy(A), 4y0y(E), 4y0z(E), 4yta(A), 5fxl(A), 5mnq(A), 6eat(A), 6eau(A), 6eaw(A), 6fid(A), 6yiv(A).


 
6. Ligand: EDO × 10
1,2-Ethanediol
PDB codes: 2fi3(E), 2fi4(E), 2fi5(E), 2ftl(E), 3gy2(A), 3gy5(A), 3qk1(A), 3ru4(T), 4b1t(A), 4ncy(A).

_Cl
 
7. Metal: _CL × 4
PDB codes: 1cu7(A), 1cu8(A), 3pyh(A), 3v13(A).


 
8. Ligand: ACT × 2
Acetate ion
PDB codes: 4gux(A), 5eg4(A).


 
9. Ligand: ILE-VAL × 2
PDB codes: 2tpi(Z), 3tpi(Z).

_Br
 
10. Metal: _BR × 2
PDB codes: 4tpy(A),

_Ca
 
11. Metal: _CA × 2
PDB codes: 5gxp(A),


 
12. Ligand: IMD × 1
Imidazole
PDB code: 1y59(T).


 
13. Ligand: PGE × 1
Triethylene glycol
PDB code: 5gxp(A).


 
14. Ligand: PO4 × 1
Phosphate ion
PDB code: 3m7q(A).


 
15. Ligand: VAL-VAL × 1
PDB code: 4tpi(Z).

_Na
 
16. Metal: _NA × 1
PDB code: 4tpy(A).

 

 Cluster 4 contains 9 ligand types

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


 
1. Ligand: DMS × 3
dimethyl sulfoxide
Dimethyl sulfoxide
PDB codes: 6yiy(A), 7bs3(A), 7bs5(A).


 
2. Ligand: GOL × 1
glycerin
Glycerol
PDB code: 3plb(A).


 
3. Ligand: SO4 × 43
Sulfate ion
PDB codes: 1ghz(A), 1gi0(A), 1hj9(A), 1n6x(A), 1n6y(A), 1sfi(A), 1tio(A), 1utn(A), 2ah4(X), 2blv(A), 2blw(A), 3gy5(A), 3gy7(A), 3t25(A), 3t27(A), 3uns(A), 3uwi(A), 4abd(A), 5mn1(A), 5mnb(A), 5mnc(A), 5mne(A), 5mng(A), 5mnk(A), 5mnl(A), 5mnm(A), 5mnn(A), 5mno(A), 5mnp(A), 5mor(A), 6b6s(A), 6bvh(A), 6eat(A), 6eau(A), 6t0m(A), 6t0p(A), 6t5w(A), 6yiv(A), 6zfk(A), 7brv(A), 7bry(A), 7brz(A), 7bs2(A).


 
4. Ligand: SEY × 2
Selenourea
PDB codes: 5t3h(A),

_Na
 
5. Metal: _NA × 2
PDB codes: 2j9n(A), 3e8l(A).


 
6. Ligand: BRV × 1
5-Amino-2,4,6-Tribromobenzene-1,3-Dicarboxylic acid
PDB code: 3iti(A).


 
7. Ligand: FLC × 1
Citrate anion
PDB code: 2plx(A).


 
8. Ligand: TMO × 1
Trimethylamine oxide
PDB code: 3t29(A).

_Br
 
9. Metal: _BR × 1
PDB code: 4tpy(A).

 

 Cluster 5 contains 9 ligand types

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


 
1. Ligand: GOL × 68
glycerin
Glycerol
PDB codes: 1hj9(A), 1j8a(A), 1n6x(A), 1n6y(A), 1utn(A), 1uto(A), 1utp(A), 1utq(A), 1y59(T), 1y5a(T), 1y5u(T), 2blv(A), 2blw(A), 2by5(X), 2by6(X), 2by7(X), 2by8(X), 2by9(X), 2bya(X), 2zdk(A), 2zfs(A), 2zft(A), 2zhd(A), 2zq2(A), 3a7t(A), 3a7v(A), 3a7w(A), 3a7x(A), 3a7y(A), 3a7z(A), 3a81(A), 3a82(A), 3a83(A), 3a84(A), 3a85(A), 3a86(A), 3a87(A), 3a88(A), 3a89(A), 3a8a(A), 3a8d(A), 3mfj(A), 3mi4(A), 3plb(A), 3plk(A), 3plp(A), 3pm3(A), 3pmj(A), 3pwc(A), 3rxb(A), 3rxc(A), 3unr(A), 3uns(A), 3upe(A), 3uuz(A), 3uwi(A), 3v0x(A), 4i8g(A), 4i8j(A), 4i8k(A), 4i8l(A), 4niv(A), 4niw(A), 4nix(A), 4yta(A), 6qih(A), 7bsa(A).


 
2. Ligand: DMS × 5
dimethyl sulfoxide
Dimethyl sulfoxide
PDB codes: 3ati(A), 3rxr(A), 3rxt(A), 6t0p(A), 7bs3(A).


 
3. Ligand: EDO × 20
1,2-Ethanediol
PDB codes: 3gy2(A), 3gy3(A), 3gy4(A), 3gy5(A), 3gy6(A), 3gy8(A), 4ab8(A), 4ab9(A), 4aba(A), 4abb(A), 4abd(A), 4abe(A), 4abf(A), 4abh(A), 4ncy(A), 4tpy(A), 6ql0(A), 6yza(A).


 
4. Ligand: XYP × 3
Beta-D-Xylopyranose
PDB codes: 6b6o(A), 6b6p(A), 6b6q(A).


 
5. Ligand: TMO × 2
Trimethylamine oxide
PDB codes: 3t28(A), 3t29(A).


 
6. Ligand: BET × 1
Trimethyl glycine
PDB code: 3t27(A).


 
7. Ligand: MES × 1
2-(N-Morpholino)-Ethanesulfonic acid
PDB code: 2ayw(A).

_Br
 
8. Metal: _BR × 1
PDB code: 4tpy(A).

_Na
 
9. Metal: _NA × 1
PDB code: 4tpy(A).

 

 Cluster 6 contains 11 ligand types

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


 
1. Ligand: GOL × 11
glycerin
Glycerol
PDB codes: 2zdk(A), 3a8b(A), 3ru4(T), 3rxa(A), 3rxc(A), 3rxe(A), 3rxg(A), 4aor(A), 4b2c(A), 4y0y(E), 7bsa(A).


 
2. Ligand: DMS × 3
dimethyl sulfoxide
Dimethyl sulfoxide
PDB codes: 3rxq(A), 4abd(A), 6yiv(A).


 
3. Ligand: SO4 × 37
Sulfate ion
PDB codes: 1c5s(A), 1nc6(A), 1tio(A), 1y5u(T), 2ah4(X), 2blv(A), 2blw(A), 2by5(X), 2by6(X), 2by7(X), 2by8(X), 2by9(X), 2bya(X), 2ftl(E), 2zdk(A), 2zq1(A), 3a82(A), 3a8b(A), 3e8l(A), 3gy2(A), 4y0z(E), 4y10(E), 5mn1(A), 5mnc(A), 5mne(A), 5mnk(A), 5mnm(A), 5mnn(A), 5mnp(A), 5mor(A), 6b6s(A), 6dwr(A), 6eat(A), 6yiw(A), 6yix(A), 6zfj(A).


 
4. Ligand: EDO × 3
1,2-Ethanediol
PDB codes: 3gy3(A), 4b2b(A), 6dwr(A).


 
5. Ligand: TMO × 3
Trimethylamine oxide
PDB codes: 3t25(A), 3t28(A), 3t29(A).

_Br
 
6. Metal: _BR × 3
PDB codes: 4tpy(A),

_Ca
 
7. Metal: _CA × 3
PDB codes: 3e8l(A), 5gxp(A),

_Cl
 
8. Metal: _CL × 3
PDB codes: 1cu7(A), 1cu8(A).


 
9. Ligand: ACT × 1
Acetate ion
PDB code: 2xtt(B).


 
10. Ligand: BET × 1
Trimethyl glycine
PDB code: 3t27(A).


 
11. Ligand: IMD × 1
Imidazole
PDB code: 1y5a(T).

 

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