Ligand clusters for UniProt code P00644

Ligand clusters for P00644: Thermonuclease from Staphylococcus aureus

		Top 6 (of 16) ligand clusters Cluster 1. 6 ligand types 405 ligands Cluster 2. 4 ligand types 14 ligands Cluster 3. 3 ligand types 3 ligands Cluster 4. 2 ligand types 2 ligands Cluster 5. 2 ligand types 5 ligands Cluster 6. 2 ligand types 2 ligands
Representative protein: 1jokA

Structures

PDB		Schematic diagram
1jokA
1staA
1sybA
1stbA
4iunA
		more ...

Cluster 1 contains 6 ligand types

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Ligand		Description
		1. Ligand: THP × 201 Thymidine-3',5'-Diphosphate PDB codes: 1a2t(A), 1a2u(A), 1a3t(A), 1a3u(A), 1a3v(A), 1aex(A), 1enc(A), 1jok(A), 1joq(A), 1nuc(A), 1snc(A), 1snm(A), 1sta(A), 1stb(A), 1stg(A), 1sth(A), 1sty(A), 1syb(A), 1syd(A), 1syf(A), 1tr5(A), 1tt2(A), 2enb(A), 2nuc(A), 2oeo(A), 2of1(A), 2rbm(A), 2snm(A), 2sns(A), 3bdc(A), 3c1e(A), 3c1f(A), 3d4d(A), 3d6c(A), 3dhq(A), 3e5s(A), 3ero(A), 3erq(A), 3evq(A), 3h6m(A), 3hej(A), 3hzx(A), 3itp(A), 3lx0(A), 3meh(A), 3mhb(A), 3mxp(A), 3mz5(A), 3nhh(A), 3nk9(A), 3np8(A), 3nqt(A), 3nuc(A), 3nxw(A), 3oso(A), 3owf(A), 3p1h(A), 3p75(A), 3pmf(A), 3qb3(A), 3qon(A), 3ruz(A), 3s9w(A), 3shl(A), 3sk4(A), 3sk5(A), 3sk6(A), 3sr1(A), 3sxh(A), 3tme(A), 3tp5(A), 3tp6(A), 3tp7(A), 3tp8(A), 3v2t(A), 3va5(A), 4df7(A), 4dfa(A), 4dgz(A), 4du9(A), 4eqn(A), 4eqo(A), 4eqp(A), 4f7x(A), 4f8m(A), 4hmi(A), 4hmj(A), 4hth(A), 4ial(A), 4iun(A), 4iz8(A), 4j1m(A), 4j6h(A), 4k2k(A), 4k2l(A), 4k5v(A), 4k5w(A), 4k5x(A), 4k6d(A), 4kd3(A), 4kd4(A), 4khv(A), 4kjn(A), 4kjo(A), 4kta(A), 4kv6(A), 4ky5(A), 4ky6(A), 4ky7(A), 4laa(A), 4me5(A), 4miu(A), 4n9p(A), 4n9t(A), 4ndx(A), 4nkl(A), 4nmz(A), 4np5(A), 4odg(A), 4ol7(A), 4pmb(A), 4pmc(A), 4pny(A), 4qf4(A), 4r8n(A), 4rkb(A), 4rkl(A), 4s3s(A), 4trd(A), 4wor(A), 4yij(A), 4zq3(A), 4zui(A), 4zuj(A), 5c3w(A), 5c3x(A), 5c4h(A), 5c4z(A), 5c5l(A), 5c5m(A), 5c6a(A), 5cc4(A), 5cgk(A), 5cr3(A), 5cv4(A), 5cv5(A), 5cv6(A), 5cv7(A), 5cv8(A), 5cv9(A), 5dau(A), 5deh(A), 5e1f(A), 5e3f(A), 5egt(A), 5ekk(A), 5ekl(A), 5f2d(A), 5hgt(A), 5hur(A), 5i6w(A), 5i6y(A), 5i9o(B), 5i9p(A), 5igb(A), 5igc(A), 5igd(A), 5ige(A), 5igf(A), 5igg(A), 5iif(A), 5ioc(A), 5iod(A), 5isr(A), 5j1z(A), 5j22(A), 5jav(A), 5job(A), 5k5p(A), 5kee(A), 5kgu(A), 5kix(A), 5kru(A), 5kyi(A), 5kyl(A), 5nuc(A), 6amf(A), 6b8r(A), 6eeg(A), 6ok8(A), 6ok9(A), 6oka(A), 6u0w(A), 6u0x(A), 6xsb(A), 6xsc(A), 6xse(A), 6xsf(A), 6xsg(A), 6xsh(A), 6xsi(A).
_Ca		2. Metal: _CA × 190 PDB codes: 1a2t(A), 1a2u(A), 1a3t(A), 1a3u(A), 1a3v(A), 1aex(A), 1ena(A), 1enc(A), 1nuc(A), 1snc(A), 1snm(A), 1sta(A), 1stb(A), 1sty(A), 1syb(A), 1syd(A), 1syf(A), 1tr5(A), 1tt2(A), 2nuc(A), 2oeo(A), 2of1(A), 2rbm(A), 2snm(A), 2sns(A), 3bdc(A), 3c1e(A), 3c1f(A), 3d4d(A), 3d6c(A), 3dhq(A), 3e5s(A), 3ero(A), 3erq(A), 3evq(A), 3h6m(A), 3hzx(A), 3itp(A), 3meh(A), 3mhb(A), 3mxp(A), 3mz5(A), 3nhh(A), 3nk9(A), 3np8(A), 3nqt(A), 3nuc(A), 3nxw(A), 3oso(A), 3owf(A), 3p1h(A), 3p75(A), 3pmf(A), 3qb3(A), 3qon(A), 3ruz(A), 3s9w(A), 3shl(A), 3sk5(A), 3sr1(A), 3sxh(A), 3t13(A), 3tp6(A), 3tp7(A), 3tp8(A), 3v2t(A), 3va5(A), 4df7(A), 4dfa(A), 4dgz(A), 4du9(A), 4eqn(A), 4eqo(A), 4eqp(A), 4f7x(A), 4f8m(A), 4hmi(A), 4hmj(A), 4ial(A), 4iun(A), 4iz8(A), 4j1m(A), 4j6h(A), 4k2k(A), 4k2l(A), 4k5v(A), 4k5w(A), 4k5x(A), 4k6d(A), 4kd3(A), 4kd4(A), 4khv(A), 4kjn(A), 4kjo(A), 4kta(A), 4kv6(A), 4ky5(A), 4ky6(A), 4ky7(A), 4laa(A), 4me5(A), 4miu(A), 4n9p(A), 4n9t(A), 4ndx(A), 4nkl(A), 4nmz(A), 4np5(A), 4odg(A), 4ol7(A), 4pmb(A), 4pmc(A), 4pny(A), 4qf4(A), 4r8n(A), 4rkb(A), 4rkl(A), 4s3s(A), 4trd(A), 4wor(A), 4yij(A), 4zq3(A), 4zui(A), 4zuj(A), 5c3w(A), 5c3x(A), 5c4h(A), 5c4z(A), 5c5l(A), 5c5m(A), 5c6a(A), 5cc4(A), 5cgk(A), 5cr3(A), 5cv4(A), 5cv5(A), 5cv6(A), 5cv7(A), 5cv8(A), 5cv9(A), 5dau(A), 5deh(A), 5e1f(A), 5e3f(A), 5egt(A), 5ekk(A), 5ekl(A), 5f2d(A), 5hgt(A), 5hur(A), 5i6w(A), 5i6y(A), 5i9o(B), 5i9p(A), 5igb(A), 5igc(A), 5igd(A), 5ige(A), 5igf(A), 5igg(A), 5iif(A), 5ioc(A), 5iod(A), 5isr(A), 5j1z(A), 5j22(A), 5jav(A), 5job(A), 5kee(A), 5kgu(A), 5kix(A), 5kru(A), 5kyi(A), 5kyl(A), 5nuc(A), 6amf(A), 6b8r(A), 6eeg(A), 6ok8(A), 6ok9(A), 6oka(A), 6u0w(A), 6u0x(A), 6xsb(A), 6xsc(A), 6xse(A), 6xsg(A), 6xsh(A), 6xsi(A).
		3. Ligand: PO4 × 10 Phosphate ion PDB codes: 2qdb(A), 2rdf(A), 2rks(A), 3eji(A), 3sk8(A), 3t13(A), 3u9o(A), 4e6i(A), 4evo(A).
_Co		4. Metal: _CO × 2 PDB codes: 1stg(A), 1sth(A).
		5. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 3dmu(A).
		6. Ligand: MRD × 1 (4r)-2-Methylpentane-2,4-Diol PDB code: 3t13(A).

Cluster 2 contains 4 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 1tt2(A).
		2. Ligand: PO4 × 11 Phosphate ion PDB codes: 3dmu(A), 3lx0(A), 4iun(A), 4k5w(A), 4k5x(A), 4kd4(A), 4odg(A), 4qf4(A), 4r8n(A), 5c5l(A), 5kru(A).
		3. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 3eji(A).
		4. Ligand: MRD × 1 (4r)-2-Methylpentane-2,4-Diol PDB code: 3t13(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 1tt2(A).
		2. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 4k6d(A).
		3. Ligand: PO4 × 1 Phosphate ion PDB code: 3owf(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 3tp5(A).
		2. Ligand: MRD × 1 (4r)-2-Methylpentane-2,4-Diol PDB code: 3tme(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: MRD × 4 (4r)-2-Methylpentane-2,4-Diol PDB codes: 4k5w(A), 4k5x(A), 4kd4(A), 4r8n(A).
		2. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 4k6d(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 1tt2(A).
		2. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 3hej(A).