Ligand clusters for UniProt code Q02899

Ligand clusters for Q02899: NADPH dehydrogenase 1 from Saccharomyces pastorianus

		Top 6 (of 15) ligand clusters Cluster 1. 11 ligand types 47 ligands Cluster 2. 5 ligand types 16 ligands Cluster 3. 3 ligand types 10 ligands Cluster 4. 3 ligand types 9 ligands Cluster 5. 1 ligand type 3 ligands Cluster 6. 1 ligand type 1 ligand
Representative protein: 1bwkA

Structures

PDB		Schematic diagram
1bwkA
4gweA
4gxmA
1oyaA
1oycA
		more ...

Cluster 1 contains 11 ligand types

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Ligand		Description
		1. Ligand: FMN × 23 flavin mononucleotide Flavin mononucleotide PDB codes: 1bwk(A), 1bwl(A), 1k02(A), 1k03(A), 1oya(A), 1oyb(A), 1oyc(A), 3rnd(A), 3tx9(A), 3txz(A), 4gbu(A), 4ge8(A), 4gwe(A), 4gxm(A), 4h4i(A), 4h6k(A), 4k7v(A), 4k7y(A), 4k8e(A), 4k8h(A), 4rnx(A), 4yil(A), 4ync(A).
		2. Ligand: HBA × 2 P-Hydroxybenzaldehyde PDB codes: 1k03(A), 1oyb(A).
		3. Ligand: 1PE × 6 Pentaethylene glycol PDB codes: 4gbu(A), 4ge8(A), 4gxm(A), 4h4i(A), 4k7v(A), 4k8h(A).
		4. Ligand: 07V × 4 (5r)-2-Methyl-5-(Prop-1-En-2-Yl)cyclohex-2-En-1-One PDB codes: 3txz(A), 4gwe(A), 4k7v(A), 4k8h(A).
		5. Ligand: 0WV × 4 2-Methyl-5-(Prop-1-En-2-Yl)phenol PDB codes: 4gbu(A), 4gxm(A), 4h4i(A), 4k8e(A).
		6. Ligand: 3RN × 2 2-(Hydroxymethyl)cyclopent-2-En-1-One PDB codes: 3rnd(A), 3tx9(A).
_Cl		7. Metal: _CL × 2 PDB codes: 4k7y(A), 4k8e(A).
		8. Ligand: 0WU × 1 (5s)-2-Methyl-5-(Prop-1-En-2-Yl)cyclohex-2-En-1-One PDB code: 4ge8(A).
		9. Ligand: 4D3 × 1 Methyl (2z)-3-Cyano-3-(4-Fluorophenyl)prop-2-Enoate PDB code: 4yil(A).
		10. Ligand: 4EG × 1 Methyl (2z)-3-Cyano-3-Phenylprop-2-Enoate PDB code: 4ync(A).
		11. Ligand: PGE × 1 Triethylene glycol PDB code: 4k8e(A).

Cluster 2 contains 5 ligand types

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Ligand		Description
_Na		1. Metal: _NA × 7 PDB codes: 4gbu(A), 4gwe(A), 4gxm(A), 4h4i(A), 4k7y(A), 4k8e(A), 4k8h(A).
		2. Ligand: 1PE × 5 Pentaethylene glycol PDB codes: 4gbu(A), 4ge8(A), 4gwe(A), 4gxm(A), 4h4i(A).
		3. Ligand: PGE × 2 Triethylene glycol PDB codes: 4k8e(A), 4k8h(A).
		4. Ligand: EDO × 1 1,2-Ethanediol PDB code: 4rnx(A).
		5. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 4k7y(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
_Na		1. Metal: _NA × 5 PDB codes: 4gbu(A), 4ge8(A), 4gxm(A), 4h4i(A), 4k8e(A).
		2. Ligand: 1PE × 4 Pentaethylene glycol PDB codes: 4gbu(A), 4ge8(A), 4gxm(A), 4h4i(A).
		3. Ligand: PGE × 1 Triethylene glycol PDB code: 4k8e(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: 1PE × 6 Pentaethylene glycol PDB codes: 4gbu(A), 4ge8(A), 4gwe(A), 4gxm(A), 4h4i(A), 4h6k(A).
		2. Ligand: PEG × 2 Di(hydroxyethyl)ether PDB codes: 4k7y(A), 4k8e(A).
		3. Ligand: EDO × 1 1,2-Ethanediol PDB code: 4rnx(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: 1PE × 3 Pentaethylene glycol PDB codes: 4gbu(A), 4gxm(A), 4h4i(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: 1PE × 1 Pentaethylene glycol PDB code: 4h6k(A).