Ligand clusters for UniProt code P05326

Ligand clusters for P05326: Isopenicillin N synthase from Emericella nidulans (strain FGSC A4 / ATCC 38163 / CBS 112.46 / NRRL 194 / M139)

		Top 6 (of 19) ligand clusters Cluster 1. 35 ligand types 80 ligands Cluster 2. 2 ligand types 4 ligands Cluster 3. 2 ligand types 5 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 1bk0A

Structures

PDB		Schematic diagram
1bk0A
2y6fA
1hb2A
1w06A
3zoiA
		more ...

Cluster 1 contains 35 ligand types (of which only 20 are listed. Click for all)

Use checkboxes to select ligands to display in RasMol, Jmol, or download as an SDF file. Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: ACV × 4 L-D-(A-Aminoadipoyl)-L-Cysteinyl-D-Valine PDB codes: 1bk0(A), 1qje(A), 2bjs(A),
		2. Ligand: IP1 × 1 Isopenicillin n PDB code: 1qje(A).
		3. Ligand: BCV × 1 D-(L-A-Aminoadipoyl)-L-Cysteinyl-D- Cyclopropylglycine PDB code: 2ivj(A).
_Fe		4. Metal: _FE × 11 PDB codes: 1bk0(A), 1qiq(A), 2bjs(A), 2bu9(A), 2jb4(A), 2y60(A), 2y6f(A), 3zku(A), 3zky(A), 3zoi(A), 4bb3(A).
_Mn		5. Metal: _MN × 1 PDB code: 1ips(A).
		6. Ligand: ACW × 1 D-(L-A-Aminoadipoyl)-L-Cysteinyl-B-Methyl-D- Cyclopropylglycine PDB code: 2ivi(B).
		7. Ligand: W05 × 2 Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D- Alanine PDB codes: 1w05(A), 1w06(A).
		8. Ligand: A14 × 1 (1s,4s,5s,7r)-7-{[(5s)-5-Amino-5- Carboxypentanoyl]amino}-3,3-Dimethyl-6-Oxo-2- Thiabicyclo[3.2.0]heptane-4-Carboxylic acid PDB code: 2jb4(A).
		9. Ligand: APV × 1 6-(5-Amino-5-Carboxy-Pentanoylamino)-3-Hydroxymethyl-7- Oxo-4-Thia-1-Aza-Bicyclo[3.2.0]heptane-2- Carboxylic acid PDB code: 1odn(A).
		10. Ligand: CDH × 1 D-(L-A-Aminoadipoyl)-L-Cysteinyl-D- Isodehydrovaline PDB code: 1uzw(A).
		11. Ligand: ASV × 3 Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D-Vinylglycine PDB codes: 1obn(A), 1oc1(A), 1odm(A).
		12. Ligand: HCG × 2 Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl- Glycine PDB codes: 1w03(A), 1w04(A).
		13. Ligand: ACC × 1 N-[N-[2-Amino-6-Oxo-Hexanoic acid-6-Yl]cysteinyl]-S- Methylcysteine PDB code: 1qiq(A).
		14. Ligand: ACS × 1 1-[(1s)-Carboxy-2-(Methylsulfinyl)ethyl]-(3r)-[(5s)-5- Amino-5-Carboxypentanamido]-(4r)- Sulfanylazetidin-2- One PDB code: 1qjf(A).
		15. Ligand: HFV × 1 Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-L-3, 3,3,3',3',3'-Hexafluorovaline PDB code: 2bu9(A).
		16. Ligand: OCV × 1 N6-[(1r)-2-{[(1r)-1-Carboxy-2-Methylpropyl]oxy}-1- (Mercaptomethyl)-2-Oxoethyl]-6-Oxo-D-Lysine PDB code: 1hb1(A).
		17. Ligand: SCV × 3 N6-[(1s)-2-{[(1r)-1-Carboxy-2-Methylpropyl]oxy}-1- (Mercaptocarbonyl)-2-Oxoethyl]-6-Oxo-L-Lysine PDB codes: 1hb2(A), 1hb3(A), 1hb4(A).
		18. Ligand: MDZ × 1 N~6~-Methyl-6-Oxo-L-Lysine - 2-[(3- Mercaptobutanoyl)oxy]-3-Methylbutanoic acid PDB code: 1w3v(A).
		19. Ligand: W2X × 1 N~6~-[(1r)-1-({[(1r,2r)-1-Carboxy-3-Hydroxy- 2-Methylpropyl]oxy}carbonyl)-2-Mercaptoprop-2- En-1- Yl]-6-Oxo-L-Lysine PDB code: 1w3x(A).
Fe2		20. Metal: FE2 × 26 PDB codes: 1hb1(A), 1hb2(A), 1hb3(A), 1hb4(A), 1obn(A), 1oc1(A), 1odm(A), 1odn(A), 1qje(A), 1qjf(A), 1uzw(A), 1w03(A), 1w04(A), 1w05(A), 1w06(A), 1w3v(A), 1w3x(A), 2ivi(B), 2ivj(A), 2vau(A), 2vbb(A), 2vbd(A), 2vbp(A), 2vcm(A), 2ve1(A), 2wo7(A).
+ more. Press for full list

Cluster 2 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 2vbb(A).
		2. Ligand: SO4 × 3 Sulfate ion PDB codes: 1oc1(A), 1w05(A), 3zoi(A).

Cluster 3 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3zoi(A).
		2. Ligand: SO4 × 4 Sulfate ion PDB codes: 1w06(A), 2ivj(A), 2jb4(A), 2vbb(A).

Cluster 4 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 2jb4(A).

Cluster 5 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 2y60(A).

Cluster 6 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3zky(A).