Ligand clusters for UniProt code P00772

Ligand clusters for P00772: Chymotrypsin-like elastase family member 1 OS=Sus scrofa OX=9823 GN=CELA1 PE=1 SV=1

		Top 6 (of 32) ligand clusters Cluster 1. 67 ligand types 157 ligands Cluster 2. 7 ligand types 15 ligands Cluster 3. 5 ligand types 98 ligands Cluster 4. 8 ligand types 114 ligands Cluster 5. 4 ligand types 9 ligands Cluster 6. 1 ligand type 1 ligand
Representative protein: 1b0eA

Structures

PDB		Schematic diagram
1b0eA
1l1gA
1uvoA
4ym9A
2a7jA
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Cluster 1 contains 67 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: IPA × 10 isopropyl alcohol Isopropyl alcohol PDB codes: 2foa(A), 2fob(A), 2fof(A),
		2. Ligand: GOL × 4 glycerin Glycerol PDB codes: 1l1g(A), 2v35(A), 3uou(A).
		3. Ligand: LYS × 3 l-lysine PDB codes: 2bd3(A), 2bd4(A), 2bd5(A).
		4. Ligand: ACY × 2 acetic acid Acetic acid PDB codes: 1ela(A), 1eld(E).
		5. Ligand: ASP × 1 aspartic acid PDB code: 2bb4(A).
		6. Ligand: TRS × 1 tromethamine 2-Amino-2-Hydroxymethyl-Propane-1,3-Diol PDB code: 2de8(A).
		7. Ligand: SO4 × 43 Sulfate ion PDB codes: 1eas(A), 1eat(A), 1esa(A), 1gvk(B), 1l1g(A), 1lkb(A), 1qnj(A), 1uo6(A), 2a7c(A), 2blo(A), 2blq(A), 2de9(A), 2fo9(A), 2foc(A), 2foe(A), 2g4t(A), 3e3t(A), 3est(A), 3mnb(A), 3mnc(A), 3mns(A), 3mnx(A), 3mo3(A), 3mo6(A), 3mo9(A), 3moc(A), 3mty(A), 3mu0(A), 3mu1(A), 3mu4(A), 3mu5(A), 3mu8(A), 3odd(A), 3odf(A), 3uou(A), 4ym9(A), 5avd(A), 6q8s(A).
		8. Ligand: ETF × 6 Trifluoroethanol PDB codes: 2fog(A), 2foh(A),
		9. Ligand: ILE × 6 PDB codes: 2bd2(A), 2bd4(A), 2bd5(A), 2bd7(A), 2bd8(A), 2bda(A).
		10. Ligand: ACT × 5 Acetate ion PDB codes: 1lka(A), 1uvo(A), 1uvp(A), 2a7j(A), 4ym9(A).
		11. Ligand: DMF × 5 Dimethylformamide PDB codes: 6est(A), 7est(E),
		12. Ligand: VAL-GLU-PRO-ILE × 4 PDB codes: 1h9l(B), 1hax(B), 1qix(B), 2bd3(A).
		13. Ligand: TPX × 3 (2s,3s)-3-Formyl-2-({[(4-Methylphenyl) sulfonyl]amino}methyl)pentanoic acid PDB codes: 1e34(B), 1e35(B), 1qgf(A).
		14. Ligand: TPY × 3 (2s,3s)-3-Formyl-2-({[(4-Nitrophenyl) sulfonyl]amino}methyl)pentanoic acid PDB codes: 1e36(B), 1e37(B), 1e38(B).
		15. Ligand: 1BO-ALA-THR-THR-LEU-SUJ-CNT-VAL × 2 1BO=1-Butanol, SUJ=(2r,3r)-2-[(3s,6r)-3-Amino-6-Hydroxy-2-Oxopiperidinyl]- 3-Hydroxybutanoic acid, CNT=N-Methyl-Meta-Chloro-Tyrosine. PDB codes: 1okx(A),
		16. Ligand: ACE-ALA-PRO-ALA × 2 ACE=Acetyl group. PDB codes: 1nes(E),
		17. Ligand: ACN × 2 Acetone PDB codes: 2fo9(A),
		18. Ligand: ALA-ALA × 2 PDB codes: 2bda(A), 2bdb(A).
		19. Ligand: ARG-PHE × 2 PDB codes: 2bd7(A), 2bd8(A).
		20. Ligand: FRW × 2 4-[[(2s)-3-Methyl-1-Oxo-1-[(2s)-2-[[(3s)-1,1,1- Trifluoro-4-Methyl-2-Oxo-Pentan-3- Yl]carbamoyl]pyrrolidin-1-Yl]butan-2- Yl]carbamoyl]benzoic acid PDB codes: 3hgn(A), 3hgp(A).
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Cluster 2 contains 7 ligand types

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Ligand		Description
		1. Ligand: SO4 × 9 Sulfate ion PDB codes: 1hax(B), 1hay(B), 1haz(B), 1hb0(B), 1lkb(A), 1uo6(A), 2a7c(A), 2g4t(A), 3uou(A).
		2. Ligand: ACN × 1 Acetone PDB code: 2fo9(A).
		3. Ligand: ACT × 1 Acetate ion PDB code: 4ym9(A).
		4. Ligand: FLC × 1 Citrate anion PDB code: 2g4u(A).
		5. Ligand: I3C × 1 5-Amino-2,4,6-Triiodobenzene-1,3-Dicarboxylic acid PDB code: 3e3t(A).
		6. Ligand: PO4 × 1 Phosphate ion PDB code: 6qeo(A).
_Br		7. Metal: _BR × 1 PDB code: 1l0z(A).

Cluster 3 contains 5 ligand types

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Ligand		Description
		1. Ligand: SE4 × 1 selenic acid Selenate ion PDB code: 2v0b(A).
		2. Ligand: SO4 × 89 Sulfate ion PDB codes: 1bma(A), 1btu(A), 1c1m(A), 1e34(B), 1e35(B), 1e36(B), 1e37(B), 1e38(B), 1eas(A), 1eat(A), 1eau(A), 1ela(A), 1elb(A), 1ele(E), 1elf(A), 1esa(A), 1esb(A), 1gvk(B), 1gwa(A), 1h9l(B), 1hv7(A), 1inc(A), 1jim(A), 1lvy(A), 1mcv(A), 1mmj(N), 1nes(E), 1qgf(A), 1qix(B), 1qnj(A), 1qr3(E), 2bb4(A), 2bd2(A), 2bd3(A), 2bd4(A), 2bd5(A), 2bd7(A), 2bd8(A), 2bd9(A), 2bda(A), 2bdb(A), 2bdc(A), 2blo(A), 2blq(A), 2de9(A), 2fo9(A), 2foa(A), 2fob(A), 2foc(A), 2fod(A), 2foe(A), 2fof(A), 2fog(A), 2foh(A), 2h1u(A), 2iot(A), 2oqu(A), 2v35(A), 3e3t(A), 3est(A), 3hgn(A), 3hgp(A), 3mnb(A), 3mnc(A), 3mns(A), 3mnx(A), 3mo3(A), 3mo6(A), 3mo9(A), 3moc(A), 3mty(A), 3mu0(A), 3mu1(A), 3mu4(A), 3mu5(A), 3mu8(A), 3odd(A), 3odf(A), 3uou(A), 4est(E), 4gvu(A), 4ym9(A), 5avd(A), 5est(E), 6est(A), 6q8s(A), 7est(E), 8est(E), 9est(A).
_Br		3. Metal: _BR × 5 PDB codes: 1l0z(A), 1l1g(A),
		4. Ligand: PO4 × 2 Phosphate ion PDB codes: 6qbu(A), 6qen(A).
		5. Ligand: I3C × 1 5-Amino-2,4,6-Triiodobenzene-1,3-Dicarboxylic acid PDB code: 3e3t(A).

Cluster 4 contains 8 ligand types

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 3uou(A), 4ym9(A).
_Ca		2. Metal: _CA × 72 PDB codes: 1b0e(A), 1bma(A), 1btu(A), 1c1m(A), 1e34(B), 1e35(B), 1e36(B), 1e37(B), 1e38(B), 1ela(A), 1elb(A), 1elc(A), 1eld(E), 1ele(E), 1elf(A), 1elg(A), 1esa(A), 1esb(A), 1gvk(B), 1gwa(A), 1h9l(B), 1hax(B), 1hay(B), 1haz(B), 1hb0(B), 1inc(A), 1lka(A), 1lvy(A), 1mcv(A), 1mmj(N), 1nes(E), 1qgf(A), 1qix(B), 1qr3(E), 2a7j(A), 2bb4(A), 2bd2(A), 2bd3(A), 2bd4(A), 2bd5(A), 2bd7(A), 2bd8(A), 2bd9(A), 2bda(A), 2bdb(A), 2bdc(A), 2blo(A), 2blq(A), 2fo9(A), 2foa(A), 2fob(A), 2foc(A), 2fod(A), 2foe(A), 2fof(A), 2fog(A), 2foh(A), 2g4u(A), 2h1u(A), 2oqu(A), 2v0b(A), 3est(A), 3hgn(A), 3hgp(A), 4est(E), 4gvu(A), 5est(E), 6est(A), 6th7(A), 7est(E), 8est(E), 9est(A).
_Na		3. Metal: _NA × 32 PDB codes: 1eas(A), 1eat(A), 1eau(A), 1l0z(A), 1l1g(A), 1lkb(A), 1qnj(A), 1uo6(A), 2g4t(A), 2v35(A), 3e3t(A), 3mnb(A), 3mnc(A), 3mns(A), 3mnx(A), 3mo3(A), 3mo6(A), 3mo9(A), 3moc(A), 3mty(A), 3mu0(A), 3mu1(A), 3mu4(A), 3mu5(A), 3mu8(A), 3odd(A), 3odf(A), 4ym9(A), 6q8s(A), 6qbu(A), 6qen(A), 6qeo(A).
_Br		4. Metal: _BR × 2 PDB codes: 1l0z(A),
_Cd		5. Metal: _CD × 2 PDB codes: 1uvo(A), 1uvp(A).
		6. Ligand: 217 × 1 (2s)-Hex-5-Ene-1,2-Diol PDB code: 2foe(A).
		7. Ligand: DMF × 1 Dimethylformamide PDB code: 2foc(A).
Iod		8. Metal: IOD × 1 PDB code: 1gwa(A).

Cluster 5 contains 4 ligand types

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Ligand		Description
		1. Ligand: DMF × 3 Dimethylformamide PDB codes: 2foc(A), 6est(A).
		2. Ligand: PO4 × 3 Phosphate ion PDB codes: 6qbu(A), 6qen(A), 6qeo(A).
		3. Ligand: ACT × 2 Acetate ion PDB codes: 4ym9(A),
		4. Ligand: SO4 × 1 Sulfate ion PDB code: 4ym9(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: I3C × 1 5-Amino-2,4,6-Triiodobenzene-1,3-Dicarboxylic acid PDB code: 3e3t(A).