Ligand clusters for UniProt code P04190

Ligand clusters for P04190: Metallo-beta-lactamase type 2 OS=Bacillus cereus OX=1396 GN=blm PE=1 SV=1

		Top 6 (of 24) ligand clusters Cluster 1. 21 ligand types 124 ligands Cluster 2. 3 ligand types 9 ligands Cluster 3. 2 ligand types 7 ligands Cluster 4. 2 ligand types 17 ligands Cluster 5. 2 ligand types 2 ligands Cluster 6. 2 ligand types 10 ligands
Representative protein: 2m5cA

Structures

PDB		Schematic diagram
2m5cA
4c1hA
4c09A
4c1cA
4nq6A
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Cluster 1 contains 21 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 22 glycerin Glycerol PDB codes: 2bfk(A), 2bfl(A), 2bg2(A), 2bg6(A), 2bg7(A), 2uyx(A), 3i14(A), 3knr(A), 4c09(A), 4c1c(A), 4c1h(A), 5jmx(A), 6eum(A), 6ewe(A).
		2. Ligand: ACY × 2 acetic acid Acetic acid PDB codes: 2nze(A), 3kns(A).
		3. Ligand: CIT × 1 citric acid Citric acid PDB code: 1mqo(A).
		4. Ligand: X8Z × 1 captopril L-Captopril PDB code: 4c1h(A).
		5. Ligand: BCT × 2 Bicarbonate ion PDB codes: 1bvt(A), 1dxk(A).
		6. Ligand: SO4 × 8 Sulfate ion PDB codes: 1bc2(A), 2bc2(A), 2bfl(A), 2bg2(A), 2bg6(A), 2bga(A), 2nze(A),
_Zn		7. Metal: _ZN × 64 PDB codes: 1bc2(A), 1bmc(A), 1bvt(A), 1dxk(A), 2bc2(A), 2bfk(A), 2bfl(A), 2bfz(A), 2bg2(A), 2bg6(A), 2bg7(A), 2bg8(A), 2bga(A), 2m5c(A), 2m5d(A), 2nxa(A), 2nyp(A), 2nze(A), 2nzf(A), 2uyx(A), 3bc2(A), 3fcz(A), 3i13(A), 3knr(A), 3kns(A), 4c09(A), 4c1c(A), 4c1h(A), 4nq4(A), 4nq5(A), 4nq6(A), 4nq7(A), 4tyt(A), 5fqb(A), 5jmx(A), 5w8w(A), 6eum(A), 6ewe(A), 6f2n(A),
		8. Ligand: SO4 × 5 Sulfate ion PDB codes: 2bfk(A), 2bfz(A), 2bg7(A), 2bg8(A),
_Co		9. Metal: _CO × 5 PDB codes: 3i11(A), 3i14(A), 3i15(A).
_Cd		10. Metal: _CD × 3 PDB codes: 1mqo(A),
		11. Ligand: 3C7 × 1 (3r,5r,7as)-5-(Sulfanylmethyl)tetrahydro[1, 3]thiazolo[4,3-B][1,3]thiazole-3-Carboxylic acid PDB code: 4nq5(A).
		12. Ligand: 3R9 × 1 (3s,5s,7ar)-5-(Sulfanylmethyl)tetrahydro[1, 3]thiazolo[4,3-B][1,3]thiazole-3-Carboxylic acid PDB code: 4nq6(A).
		13. Ligand: BY5 × 1 (~{Z})-2-Sulfanyl-3-[2,3,6-Tris(fluoranyl)phenyl]prop- 2-Enoic acid PDB code: 6eum(A).
		14. Ligand: C0W × 1 (~{Z})-3-(1-Benzothiophen-3-Yl)-2-Sulfanyl-Prop-2-Enoic acid PDB code: 6ewe(A).
		15. Ligand: CF8 × 1 (~{Z})-3-[2-(Naphthalen-2-Ylmethyl)phenyl]-2-Sulfanyl- Prop-2-Enoic acid PDB code: 6f2n(A).
		16. Ligand: DZ5 × 1 (2z)-3-(4-Fluorophenyl)-2-Sulfanylprop-2-Enoic acid PDB code: 5jmx(A).
		17. Ligand: MCO × 1 1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2- Carboxylic acid PDB code: 4c1c(A).
		18. Ligand: OK3 × 1 (4~{r})-4-[[4-(Aminomethyl)phenyl]carbonylamino]-3,3- Bis(oxidanyl)-2-Oxa-3- Boranuidabicyclo[4.4.0]deca- 1(10),6,8-Triene-10-Carboxylic acid PDB code: 5fqb(A).
		19. Ligand: RTD × 1 (2r)-Phenyl(sulfanyl)ethanoic acid PDB code: 2m5d(A).
		20. Ligand: S3C × 1 (2z)-2-Sulfanyl-3-(2,3,6-Trichlorophenyl)prop-2-Enoic acid PDB code: 4tyt(A).
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Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 6 glycerin Glycerol PDB codes: 2bfk(A), 2bfz(A), 2bg2(A), 2bg6(A), 2bg8(A), 3kns(A).
		2. Ligand: ACY × 2 acetic acid Acetic acid PDB codes: 2nze(A), 3knr(A).
		3. Ligand: SO4 × 1 Sulfate ion PDB code: 2bga(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 6 glycerin Glycerol PDB codes: 2bfk(A), 2bfl(A), 2bg2(A), 2bg7(A), 2bg8(A), 2bga(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 2bc2(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 7 glycerin Glycerol PDB codes: 2bfk(A), 2bfl(A), 2bfz(A), 2bg6(A), 2bg7(A), 2bg8(A), 2nze(A).
		2. Ligand: SO4 × 10 Sulfate ion PDB codes: 4c09(A), 4c1c(A), 4c1h(A), 4tyt(A), 5fqb(A), 5jmx(A), 5w8w(A), 6eum(A), 6ewe(A), 6f2n(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3knr(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 3kns(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 9 glycerin Glycerol PDB codes: 2bfk(A), 2bfl(A), 2bfz(A), 2bg2(A), 2bg7(A), 3knr(A), 3kns(A),
		2. Ligand: ACY × 1 acetic acid Acetic acid PDB code: 2nze(A).