Ligand clusters for UniProt code P55072

Ligand clusters for P55072: Transitional endoplasmic reticulum ATPase from Homo sapiens

		Top 6 (of 15) ligand clusters Cluster 1. 6 ligand types 21 ligands Cluster 2. 5 ligand types 32 ligands Cluster 3. 6 ligand types 7 ligands Cluster 4. 4 ligand types 4 ligands Cluster 5. 3 ligand types 6 ligands Cluster 6. 3 ligand types 15 ligands
Representative protein: 7bpaA

Structures

PDB		Schematic diagram
7bpaA
7bp9A
7bp8A
5c19A
5ftkA
		more ...

Cluster 1 contains 6 ligand types

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Ligand		Description
_Mg		1. Metal: _MG × 2 PDB codes: 5ftm(A), 5ftn(A).
		2. Ligand: ADP × 11 Adenosine-5'-Diphosphate PDB codes: 5ftj(A), 5ftk(A), 5ftl(A), 6g2v(A), 6g2w(A), 6g2x(A), 6g2y(A), 6g2z(A), 6g30(A), 7bp8(A), 7bp9(A).
		3. Ligand: AGS × 3 Phosphothiophosphoric acid-Adenylate ester PDB codes: 5ftm(A), 5ftn(A), 7jy5(A).
		4. Ligand: ANP × 2 Phosphoaminophosphonic acid-Adenylate ester PDB codes: 7bpa(A), 7bpb(A).
		5. Ligand: SO4 × 2 Sulfate ion PDB codes: 5c19(A),
		6. Ligand: JDP × 1 1-[4-(Benzylamino)-7,8-Dihydro-5h-Pyrano[4,3- D]pyrimidin-2-Yl]-2-Methyl-1h-Indole-4-Carboxamide PDB code: 6mck(A).

Cluster 2 contains 5 ligand types

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Ligand		Description
_Mg		1. Metal: _MG × 7 PDB codes: 3hu1(A), 3hu3(A), 4kln(A), 4ko8(A), 5ftn(A), 5kiw(A), 5kiy(A).
		2. Ligand: ADP × 14 Adenosine-5'-Diphosphate PDB codes: 4kod(A), 5dyg(A), 5dyi(A), 5ftj(A), 5ftk(A), 5ftl(A), 5ftm(A), 5ifs(B), 5ifw(B), 6hd0(B), 7bp8(A), 7bp9(A), 7bpa(A), 7bpb(A).
		3. Ligand: AGS × 7 Phosphothiophosphoric acid-Adenylate ester PDB codes: 3hu1(A), 3hu2(A), 3hu3(A), 4kln(A), 4ko8(A), 5ftn(A), 7jy5(A).
		4. Ligand: ANP × 2 Phosphoaminophosphonic acid-Adenylate ester PDB codes: 5kiw(A), 5kiy(A).
		5. Ligand: SO4 × 2 Sulfate ion PDB codes: 5c19(A),

Cluster 3 contains 6 ligand types

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Ligand		Description
		1. Ligand: EJQ × 2 ~{N}-(4-Fluorophenyl)-2-Pyrrolidin-1-Yl-Ethanamide PDB codes: 6g2x(A),
		2. Ligand: AWD × 1 ~{N}-(4-Fluorophenyl)-4-Methyl-Piperazine-1-Carboxamide PDB code: 6g2w(A).
		3. Ligand: EJW × 1 (3-Phenyl-1,2-Oxazol-5-Yl)methylazanium PDB code: 6g2z(A).
		4. Ligand: ELN × 1 ~{N}-(4-Chlorophenyl)-2-Cyano-Ethanamide PDB code: 6g30(A).
		5. Ligand: ELQ × 1 [3,4-Bis(fluoranyl)phenyl]-(4-Methylpiperazin-1-Yl) methanone PDB code: 6g2y(A).
		6. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 6g2v(A).

Cluster 4 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5ifs(B).
		2. Ligand: ARG-ALA-PHE-SER-GLY-SER-GLY-ASN-ARG-LEU × 1 PDB code: 5c1b(A).
_Cl		3. Metal: _CL × 1 PDB code: 3qq7(A).
_Co		4. Metal: _CO × 1 PDB code: 3qq7(A).

Cluster 5 contains 3 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 6g2v(A).
		2. Ligand: AGS × 3 Phosphothiophosphoric acid-Adenylate ester PDB codes: 5ftm(A), 5ftn(A), 7jy5(A).
		3. Ligand: ANP × 2 Phosphoaminophosphonic acid-Adenylate ester PDB codes: 7bpa(A), 7bpb(A).

Cluster 6 contains 3 ligand types

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Ligand		Description
		1. Ligand: ADP × 9 Adenosine-5'-Diphosphate PDB codes: 4kod(A), 5dyi(A), 5ftj(A), 5ftk(A), 5ftl(A), 5ftm(A), 6hd0(B), 7bp9(A), 7bpa(A).
		2. Ligand: AGS × 5 Phosphothiophosphoric acid-Adenylate ester PDB codes: 3hu1(A), 3hu2(A), 4kln(A), 5ftn(A), 7jy5(A).
		3. Ligand: SO4 × 1 Sulfate ion PDB code: 5ifs(B).