Ligand clusters for UniProt code P06873

Ligand clusters for P06873: Proteinase K from Parengyodontium album

		Top 6 (of 26) ligand clusters Cluster 1. 51 ligand types 111 ligands Cluster 2. 10 ligand types 19 ligands Cluster 3. 10 ligand types 18 ligands Cluster 4. 6 ligand types 83 ligands Cluster 5. 12 ligand types 87 ligands Cluster 6. 4 ligand types 5 ligands
Representative protein: 1bjrE

Structures

PDB		Schematic diagram
1bjrE
6lawA
6v8rA
6pq0A
5rpoA
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Cluster 1 contains 51 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 4 glycerin Glycerol PDB codes: 3q5g(A), 3qmp(A), 5avj(A), 5avk(A).
		2. Ligand: ACY × 2 acetic acid Acetic acid PDB codes: 1egq(A), 2hd4(A).
		3. Ligand: CLW × 1 chlorzoxazone Chlorzoxazone PDB code: 5row(A).
		4. Ligand: NO3 × 21 Nitrate ion PDB codes: 1ic6(A), 1p7v(A), 1p7w(A), 2hpz(A), 2pwa(A), 3q40(A), 5avj(A), 5avk(A), 5uvl(A), 6txg(A).
		5. Ligand: SO4 × 10 Sulfate ion PDB codes: 3gt3(A), 3l1k(A), 5cw1(A), 5rop(A), 6qxv(A), 6rzp(A).
_Hg		6. Metal: _HG × 8 PDB codes: 1ht3(A), 1pj8(A), 1ptk(A), 3i34(X),
_Ca		7. Metal: _CA × 7 PDB codes: 5k7s(A), 6n4u(A), 6pu4(A), 6pu5(A), 6v8r(A).
		8. Ligand: 47E × 3 (2r)-(3-Chlorophenyl)(hydroxy)ethanoic acid PDB codes: 5rop(A), 5roq(A),
		9. Ligand: 47Y × 2 3-[(4e)-4-Imino-5,6-Dimethylfuro[2,3-D]pyrimidin-3(4h)- Yl]-N,N-Dimethylpropan-1-Amine PDB codes: 5rpa(A),
		10. Ligand: 483 × 2 2-(1h-Imidazol-1-Yl)-N-(Trans-4-Methylcyclohexyl) acetamide PDB codes: 5ron(A),
		11. Ligand: B2A × 2 Alanine boronic acid PDB codes: 2pwa(A),
		12. Ligand: BRV × 2 5-Amino-2,4,6-Tribromobenzene-1,3-Dicarboxylic acid PDB codes: 3gt3(A),
		13. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 3l1k(A), 6txg(A).
		14. Ligand: GLY-ASP-GLU-GLN-GLY-GLU-ASN-LYS × 2 PDB codes: 2dp4(E), 2hd4(A).
		15. Ligand: I3C × 2 5-Amino-2,4,6-Triiodobenzene-1,3-Dicarboxylic acid PDB codes: 3gt4(A), 7jsy(A).
		16. Ligand: KCO × 2 Co-Substituted beta-Keggin PDB codes: 6rve(A), 6rvg(A).
		17. Ligand: LYS-GLY-GLU-ALA-ASP-ALA-LEU-SER-LEU-ASP × 2 PDB codes: 3osz(A), 3ptl(A).
		18. Ligand: PRO-ALA-PRO-PHE × 2 PDB codes: 1pek(E), 1pj8(A).
		19. Ligand: PYZ × 2 4-Iodopyrazole PDB codes: 5cw1(A),
		20. Ligand: WCO × 2 Co-Substituted alpha-Keggin PDB codes: 6rug(A), 6run(A).
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Cluster 2 contains 10 ligand types

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Ligand		Description
		1. Ligand: NO3 × 5 Nitrate ion PDB codes: 1ic6(A), 1p7v(A), 1p7w(A), 3q40(A), 6txg(A).
		2. Ligand: SO4 × 5 Sulfate ion PDB codes: 2pwa(A), 3l1k(A), 4woc(A), 5cw1(A), 5i9s(A).
_Cl		3. Metal: _CL × 2 PDB codes: 2g4v(A), 6rzp(A).
		4. Ligand: KK5 × 1 Zn-Substituted alpha-Keggin PDB code: 6ruw(A).
		5. Ligand: TLA × 1 L(+)-Tartaric acid PDB code: 5wjg(A).
		6. Ligand: WCO × 1 Co-Substituted alpha-Keggin PDB code: 6rug(A).
		7. Ligand: WNI × 1 Ni-Substituted alpha-Keggin PDB code: 6ruh(A).
		8. Ligand: XCO × 1 Co-Substituted beta-Keggin PDB code: 6rve(A).
		9. Ligand: XCO-XCO-XCO × 1 XCO=Co-Substituted beta-Keggin. PDB code: 6rvg(A).
		10. Ligand: XCU × 1 Cu-Substituted alpha-Keggin PDB code: 6ruk(A).

Cluster 3 contains 10 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6rzp(A).
__K		2. Metal: __K × 1 PDB code: 2g4v(A).
		3. Ligand: NO3 × 7 Nitrate ion PDB codes: 1p7w(A), 2id8(A), 2pwa(A), 3q40(A), 5avj(A), 5avk(A), 6pq4(A).
		4. Ligand: I3C × 2 5-Amino-2,4,6-Triiodobenzene-1,3-Dicarboxylic acid PDB codes: 3gt4(A), 7jsy(A).
		5. Ligand: SO4 × 2 Sulfate ion PDB codes: 6qxv(A),
		6. Ligand: 46P × 1 4-Methyl-5-(1-Methyl-1h-Imidazol-2-Yl)-1,3-Thiazol-2- Amine PDB code: 5rp6(A).
		7. Ligand: 8G2 × 1 (4-Methoxycarbonylphenyl)methylazanium PDB code: 5rpl(A).
		8. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5wjg(A).
		9. Ligand: TFS × 1 Trifluoromethanesulfonic acid PDB code: 6txg(A).
		10. Ligand: YEY × 1 2-(2,3-Dihydro-1,4-Benzodioxin-6-Yl)-1h-Pyrrole PDB code: 5rp9(A).

Cluster 4 contains 6 ligand types

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Ligand		Description
		1. Ligand: SE4 × 2 selenic acid Selenate ion PDB codes: 2v8b(A), 3qmp(A).
		2. Ligand: SO4 × 76 Sulfate ion PDB codes: 3gt3(A), 3gt4(A), 3q5g(A), 4wob(A), 4woc(A), 5amx(A), 5i9s(A), 5roc(A), 5rod(A), 5roe(A), 5rof(A), 5rog(A), 5roh(A), 5roi(A), 5roj(A), 5rok(A), 5rol(A), 5rom(A), 5ron(A), 5roo(A), 5rop(A), 5roq(A), 5ror(A), 5ros(A), 5rot(A), 5rou(A), 5rov(A), 5row(A), 5rox(A), 5roy(A), 5roz(A), 5rp0(A), 5rp1(A), 5rp2(A), 5rp3(A), 5rp4(A), 5rp5(A), 5rp6(A), 5rp7(A), 5rp8(A), 5rp9(A), 5rpa(A), 5rpb(A), 5rpd(A), 5rpf(A), 5rpg(A), 5rph(A), 5rpi(A), 5rpj(A), 5rpk(A), 5rpl(A), 5rpm(A), 5rpn(A), 5rpo(A), 5rpp(A), 5rpq(A), 5rpr(A), 5rps(A), 5rpt(A), 5rpu(A), 5rpv(A), 5rpx(A), 5rpy(A), 5rpz(A), 6k8m(E), 6law(A), 6n4u(A), 6qxv(A), 6rug(A), 6ruh(A), 6ruk(A), 6run(A), 6ruw(A), 6rve(A), 6rvg(A), 6rzp(A).
		3. Ligand: EPE × 2 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB codes: 3dyb(A), 5mjl(A).
		4. Ligand: I3C × 1 5-Amino-2,4,6-Triiodobenzene-1,3-Dicarboxylic acid PDB code: 7jsy(A).
		5. Ligand: NHE × 1 2-[N-Cyclohexylamino]ethane sulfonic acid PDB code: 6qf1(A).
		6. Ligand: W9J × 1 N-Carbamoyl-L-Methionine PDB code: 5rpc(A).

Cluster 5 contains 12 ligand types

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Ligand		Description
		1. Ligand: GOL × 4 glycerin Glycerol PDB codes: 3aj8(A), 3aj9(A), 5kxv(A),
_Ca		2. Metal: _CA × 69 PDB codes: 1cnm(A), 1egq(A), 1ht3(A), 1ic6(A), 1oyo(A), 1p7v(A), 1p7w(A), 1ptk(A), 2dqk(A), 2duj(A), 2g4v(A), 2hd4(A), 2hpz(A), 2id8(A), 2pq2(A), 2prk(A), 2pwa(A), 2pwb(A), 2pyz(A), 2v8b(A), 3d9q(X), 3ddz(X), 3de0(X), 3de1(X), 3de2(X), 3de3(X), 3de4(X), 3de5(X), 3de6(X), 3de7(X), 3dvq(X), 3dvr(X), 3dvs(X), 3dw1(X), 3dw3(X), 3dwe(X), 3i2y(X), 3i30(X), 3i34(X), 3i37(X), 3l1k(A), 3osz(A), 3prk(E), 3q40(A), 3q5g(A), 3qmp(A), 4b5l(A), 4zar(A), 5avj(A), 5b1d(A), 5b1e(A), 5k7s(A), 5kxu(A), 5kxv(A), 5mjl(A), 5uvl(A), 5whw(A), 5wjg(A), 5wjh(A), 6fjs(A), 6j43(A), 6kkf(A), 6mh6(A), 6pq0(A), 6qf1(A), 6qxv(A), 6rzp(A), 6v8r(A).
		3. Ligand: NO3 × 2 Nitrate ion PDB codes: 1ic6(A), 2pwa(A).
		4. Ligand: SO4 × 2 Sulfate ion PDB codes: 6qxv(A),
_Na		5. Metal: _NA × 2 PDB codes: 2pkc(A), 7a68(A).
_Pr		6. Metal: _PR × 2 PDB codes: 5avk(A), 5wrc(A).
		7. Ligand: BRV × 1 5-Amino-2,4,6-Tribromobenzene-1,3-Dicarboxylic acid PDB code: 3gt3(A).
		8. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5wjg(A).
		9. Ligand: NYN × 1 Chlorido(1,2-Diaminoethane-K2n,N')(1,4,7- Trithiacyclononane- K3s,S',S'')Ruthenium(ii) trifluoromethanesulfonate PDB code: 6txg(A).
		10. Ligand: PYZ × 1 4-Iodopyrazole PDB code: 5cw1(A).
		11. Ligand: TOU × 1 Thiourea PDB code: 6k8m(E).
_Cl		12. Metal: _CL × 1 PDB code: 6qxv(A).

Cluster 6 contains 4 ligand types

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Ligand		Description
		1. Ligand: I3C × 2 5-Amino-2,4,6-Triiodobenzene-1,3-Dicarboxylic acid PDB codes: 3gt4(A), 7jsy(A).
		2. Ligand: BRV × 1 5-Amino-2,4,6-Tribromobenzene-1,3-Dicarboxylic acid PDB code: 3gt3(A).
		3. Ligand: NO3 × 1 Nitrate ion PDB code: 1p7w(A).
_Ca		4. Metal: _CA × 1 PDB code: 6n4u(A).