Ligand clusters for UniProt code P02931

Ligand clusters for P02931: Outer membrane porin F from Escherichia coli (strain K12)

		Top 6 (of 20) ligand clusters Cluster 1. 12 ligand types 19 ligands Cluster 2. 9 ligand types 114 ligands Cluster 3. 4 ligand types 12 ligands Cluster 4. 2 ligand types 4 ligands Cluster 5. 2 ligand types 3 ligands Cluster 6. 2 ligand types 4 ligands
Representative protein: 6zhpB

Structures

PDB		Schematic diagram
6zhpB
3o0eA
1gfmA
1gfqA
2omfA
		more ...

Cluster 1 contains 12 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 4lsf(A), 4lsi(A).
		2. Ligand: 0JM × 1 carbenicillin (2s,5r,6r,7r)-6-{[(2r)-2-Carboxy-2-Phenylacetyl]amino}- 7-Hydroxy-3,3-Dimethyl-4-Thia-1- Azabicyclo[3.2.0]heptane-2-Carboxylic acid PDB code: 4gcq(A).
		3. Ligand: AIC × 1 ampicillin (2s,5r,6r)-6-{[(2r)-2-Amino-2-Phenylethanoyl]amino}-3, 3-Dimethyl-7-Oxo-4-Thia-1- Azabicyclo[3.2.0]heptane-2- Carboxylic acid PDB code: 4gcp(A).
		4. Ligand: PEG × 3 Di(hydroxyethyl)ether PDB codes: 4lse(A), 4lsi(A),
		5. Ligand: SO4 × 3 Sulfate ion PDB codes: 5nuo(C), 5nur(C),
		6. Ligand: P6G × 2 Hexaethylene glycol PDB codes: 3hw9(A), 3hwb(A).
_Br		7. Metal: _BR × 2 PDB codes: 4lsf(A), 4lsh(A).
		8. Ligand: 451 × 1 N-(6,7,9,10,17,18,20,21-Octahydrodibenzo[b,K][1,4,7,10, 13,16]hexaoxacyclooctadecin-2-Yl)acetamide PDB code: 3fyx(A).
		9. Ligand: EPE × 1 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB code: 3fyx(A).
		10. Ligand: UNK-UNK-UNK-UNK-UNK-UNK-UNK × 1 PDB code: 2zld(A).
_Cl		11. Metal: _CL × 1 PDB code: 3hw9(A).
_Rb		12. Metal: _RB × 1 PDB code: 3hwb(A).

Cluster 2 contains 9 ligand types

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Ligand		Description
_Mg		1. Metal: _MG × 2 PDB codes: 4lse(A), 4lsi(A).
__K		2. Metal: __K × 2 PDB codes: 3pox(A),
		3. Ligand: C8E × 68 (Hydroxyethyloxy)tri(ethyloxy)octane PDB codes: 1gfm(A), 1gfn(A), 1gfo(A), 1gfp(A), 1gfq(A), 1hxt(A), 1mpf(A), 2omf(A), 2zfg(A), 4lse(A), 4lsi(A), 5nuo(C), 5nuq(A), 5nur(C).
		4. Ligand: OLC × 35 (2r)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate PDB codes: 3poq(A), 3pou(A), 3pox(A),
		5. Ligand: QLB × 3 2-[2-(2-Octoxyethoxy)ethoxy]ethanol PDB codes: 6zhp(B), 6zhv(B).
		6. Ligand: BOG × 1 Octyl beta-D-Glucopyranoside PDB code: 3o0e(A).
		7. Ligand: GP1-Z9M-KDO-KDO × 1 GP1=2-Amino-2-Deoxy-1-O-Phosphono-Alpha-D-Glucopyranose, Z9M=2-Amino-2-Deoxy-4-O-Phosphono-Beta-D-Glucopyranose, KDO=3-Deoxy-Alpha-D-Manno-Oct-2-Ulopyranosonic acid. PDB code: 5nur(C).
_Br		8. Metal: _BR × 1 PDB code: 4lsh(A).
_Rb		9. Metal: _RB × 1 PDB code: 3hwb(A).

Cluster 3 contains 4 ligand types

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Ligand		Description
		1. Ligand: C8E × 5 (Hydroxyethyloxy)tri(ethyloxy)octane PDB codes: 1hxx(A), 5nuo(C),
		2. Ligand: OLC × 5 (2r)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate PDB codes: 3poq(A), 3pou(A), 3pox(A),
		3. Ligand: BOG × 1 Octyl beta-D-Glucopyranoside PDB code: 3o0e(A).
		4. Ligand: QLB × 1 2-[2-(2-Octoxyethoxy)ethoxy]ethanol PDB code: 6zhv(B).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: C8E × 2 (Hydroxyethyloxy)tri(ethyloxy)octane PDB codes: 5nuo(C), 5nuq(A).
		2. Ligand: OLC × 2 (2r)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate PDB codes: 3pox(A),

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: 1RG × 1 ertapenem (4r,5s)-3-({(3s,5s)-5-[(3-Carboxyphenyl) carbamoyl]pyrrolidin-3-Yl}sulfanyl)-5-[(1s,2r)-1- Formyl- 2-Hydroxypropyl]-4-Methyl-4,5-Dihydro-1h- Pyrrole-2-Carboxylic acid PDB code: 4gcs(A).
		2. Ligand: SO4 × 2 Sulfate ion PDB codes: 5nuo(C), 5nur(C).

Cluster 6 contains 2 ligand types

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Ligand		Description
_Br		1. Metal: _BR × 3 PDB codes: 4lsf(A), 4lsh(A).
		2. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 4lsi(A).