Ligand clusters for UniProt code P11797

Ligand clusters for P11797: Chitinase B from Serratia marcescens

		Top 6 (of 23) ligand clusters Cluster 1. 22 ligand types 45 ligands Cluster 2. 6 ligand types 21 ligands Cluster 3. 3 ligand types 14 ligands Cluster 4. 2 ligand types 15 ligands Cluster 5. 2 ligand types 8 ligands Cluster 6. 1 ligand type 2 ligands
Representative protein: 1ogbA

Structures

PDB		Schematic diagram
1ogbA
1oggA
7c34A
1h0gA
1o6iA
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Cluster 1 contains 22 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 18 glycerin Glycerol PDB codes: 1goi(A), 1o6i(A), 1ogb(A), 1ogg(A), 3wd1(A), 4z2h(A), 4z2i(A), 4z2j(A).
		2. Ligand: BER × 1 berberine Berberine PDB code: 7c34(A).
		3. Ligand: AMI × 1 Allosamizoline PDB code: 1ogg(A).
		4. Ligand: SO4 × 1 Sulfate ion PDB code: 1h0i(A).
		5. Ligand: A1L × 3 [2-[[(2s)-1-[Bis(phenylmethyl)amino]-5-[[N- (Methylcarbamoyl)carbamimidoyl]amino]-1-Oxidanylidene- Pentan-2-Yl]amino]-2-Oxidanylidene-Ethyl]-Diazonio- Azanide PDB codes: 3wd2(A), 3wd3(A), 3wd4(A).
		6. Ligand: SO4 × 2 Sulfate ion PDB codes: 1e6n(A),
		7. Ligand: M6B × 2 (1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-Ethyl-2,10- Dihydroxy-2,6,8,10,12,15,15,17-Octamethyl-5- Oxo-9- (Prop-2-Yn-1-Yloxy)-4,14,16- Trioxabicyclo[11.3.1]heptadec-7-Yl {3-[N'- (Methylcarbamoyl)carbamimidamido]propyl}carbamate PDB codes: 4z2i(A),
		8. Ligand: M6G × 2 (1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-Ethyl-2,10- Dihydroxy-2,6,8,10,12,15,15,17-Octamethyl-5- Oxo-9- (Prop-2-Yn-1-Yloxy)-4,14,16- Trioxabicyclo[11.3.1]heptadec-7-Yl {5-[N'- (Methylcarbamoyl)carbamimidamido]pentyl}carbamate PDB codes: 4z2j(A),
		9. Ligand: M6V × 2 (1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-Ethyl-2,10- Dihydroxy-2,6,8,10,12,15,15,17-Octamethyl-5- Oxo-9- (Prop-2-Yn-1-Yloxy)-4,14,16- Trioxabicyclo[11.3.1]heptadec-7-Yl {4-[N'- (Methylcarbamoyl)carbamimidamido]butyl}carbamate PDB codes: 4z2g(A),
		10. Ligand: 0AR-DPR-HSE-HIS-UN1 × 1 0AR=N-[N-[(4s)-4-Azanyl-5-Hydroxy-5-Oxo- Pentyl]carbamimidoyl]ethanamide, DPR=D-Proline, HSE=L-Homoserine, UN1=2-Aminohexanedioic acid. PDB code: 1h0g(A).
		11. Ligand: 0HZ × 1 Amino({3-[(3s,8as)-1,4-Dioxooctahydropyrrolo[1,2- A]pyrazin-3-Yl]propyl}amino)methaniminium PDB code: 1o6i(A).
		12. Ligand: BU0 × 1 6-Azanyl-2-Oxidanylidene-N-[(1s)-1-Phenylethyl]-7- (Phenylmethyl)-1l^{4},9-Diaza-7- Azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6, 10,12-Hexaene-5-Carboxamide PDB code: 6jk9(A).
		13. Ligand: BV0 × 1 6-Azanyl-11-Methyl-2-Oxidanylidene-7-[[(2r)-Oxolan-2- Yl]methyl]-N-(Pyridin-3-Ylmethyl)-1,9-Diaza- 7- Azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11, 13-Hexaene-5-Carboxamide PDB code: 6jkf(A).
		14. Ligand: M6A × 1 (1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-Ethyl-2,10- Dihydroxy-2,6,8,10,12,15,15,17-Octamethyl-5- Oxo-9- (Prop-2-Yn-1-Yloxy)-4,14,16- Trioxabicyclo[11.3.1]heptadec-7-Yl {2-[N'- (Methylcarbamoyl)carbamimidamido]ethyl}carbamate PDB code: 4z2h(A).
		15. Ligand: M6E × 1 (1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-Ethyl-2,10- Dihydroxy-2,6,8,10,12,15,15,17-Octamethyl-5- Oxo-9- (Prop-2-Yn-1-Yloxy)-4,14,16- Trioxabicyclo[11.3.1]heptadec-7-Yl {7-[N'- (Methylcarbamoyl)carbamimidamido]heptyl}carbamate PDB code: 4z2k(A).
		16. Ligand: M6F × 1 (3r,4s,5s,6r,7r,9r,10s,11s,12r,13s,14r)-14-Ethyl-7,10, 12,13-Tetrahydroxy-3,5,7,9,11,13-Hexamethyl- 2-Oxo-6- (Prop-2-Yn-1-Yloxy)oxacyclotetradecan-4-Yl {3-[N'- (Methylcarbamoyl)carbamimidamido]propyl}carbamate PDB code: 4z2l(A).
		17. Ligand: NAA-NAA × 1 NAA=2-Acetamido-2-Deoxy-Beta-D-Allopyranose. PDB code: 1ogg(A).
		18. Ligand: NAG-NAG-NAG-NAG-NAG × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB code: 1e6n(A).
		19. Ligand: PO3 × 1 Phosphite ion PDB code: 3wd1(A).
		20. Ligand: QUB × 1 (E)-N-(Prop-2-En-1-Yloxy)-1-(Quinolin-4-Yl)methanimine PDB code: 3wd4(A).
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Cluster 2 contains 6 ligand types

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Ligand		Description
		1. Ligand: GOL × 15 glycerin Glycerol PDB codes: 1goi(A), 1h0g(A), 1o6i(A), 1ogb(A), 3wd0(A), 3wd1(A), 3wd2(A), 3wd3(A), 3wd4(A), 4z2l(A).
		2. Ligand: BER × 1 berberine Berberine PDB code: 7c34(A).
		3. Ligand: BV0 × 2 6-Azanyl-11-Methyl-2-Oxidanylidene-7-[[(2r)-Oxolan-2- Yl]methyl]-N-(Pyridin-3-Ylmethyl)-1,9-Diaza- 7- Azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11, 13-Hexaene-5-Carboxamide PDB codes: 6jkf(A),
		4. Ligand: 0AR-DPR-HSE-HIS-UN1 × 1 0AR=N-[N-[(4s)-4-Azanyl-5-Hydroxy-5-Oxo- Pentyl]carbamimidoyl]ethanamide, DPR=D-Proline, HSE=L-Homoserine, UN1=2-Aminohexanedioic acid. PDB code: 1h0g(A).
		5. Ligand: BU0 × 1 6-Azanyl-2-Oxidanylidene-N-[(1s)-1-Phenylethyl]-7- (Phenylmethyl)-1l^{4},9-Diaza-7- Azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6, 10,12-Hexaene-5-Carboxamide PDB code: 6jk9(A).
		6. Ligand: NAG-NAG-NAG-NAG-NAG × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB code: 1e6n(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 9 glycerin Glycerol PDB codes: 1h0i(A), 1o6i(A), 1ogb(A), 3wd0(A), 3wd1(A), 3wd2(A), 3wd3(A), 3wd4(A), 4z2h(A).
		2. Ligand: SO4 × 4 Sulfate ion PDB codes: 1h0i(A), 1e6n(A), 3wd1(A), 3wd2(A).
		3. Ligand: PO4 × 1 Phosphate ion PDB code: 4z2j(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 14 glycerin Glycerol PDB codes: 1goi(A), 1h0i(A), 1o6i(A), 1ogb(A), 1ogg(A), 3wd0(A), 3wd1(A), 3wd2(A), 3wd3(A), 3wd4(A), 4z2h(A), 4z2i(A), 4z2k(A), 4z2l(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 1e6n(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 7 glycerin Glycerol PDB codes: 1ogb(A), 3wd0(A), 3wd1(A), 3wd2(A), 3wd3(A), 3wd4(A), 4z2h(A).
		2. Ligand: PO3 × 1 Phosphite ion PDB code: 4z2i(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: DTD × 2 Dithiane diol PDB codes: 3wd0(A), 3wd2(A).