Receptor
PDB id Resolution Class Description Source Keywords
5V2T 1.23 Å NON-ENZYME: OTHER ETHYLENE FORMING ENZYME IN COMPLEX WITH MANGANESE AND TARTRA PSEUDOMONAS SAVASTANOI PV. PHASEOLICOLORGANISM_TAXID: 319 ETHYLENE BIOSYNTHESIS OXIDOREDUCTASE
Ref.: STRUCTURES AND MECHANISMS OF THE NON-HEME FE(II)- A 2-OXOGLUTARATE-DEPENDENT ETHYLENE-FORMING ENZYME: S BINDING CREATES A TWIST. J. AM. CHEM. SOC. V. 139 11980 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:401;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
TLA A:402;
Valid;
none;
submit data
150.087 C4 H6 O6 [C@@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5LUN 1.08 Å NON-ENZYME: OTHER ETHYLENE FORMING ENZYME FROM PSEUDOMONAS SYRINGAE PV. PHASEO P1 ULTRA-HIGH RESOLUTION CRYSTAL FORM IN COMPLEX WITH IRON,O XALYLGLYCINE AND ARGININE PSEUDOMONAS SAVASTANOI PV. PHASEOLICOLORGANISM_TAXID: 319 2-OXOGLUTARATE AND FERROUS IRON DEPENDENT OXYGENASE ETHYLENFORMING DOUBLE STRANDED BETA HELIX OXIDOREDUCTASE
Ref.: STRUCTURAL AND STEREOELECTRONIC INSIGHTS INTO OXYGENASE-CATALYZED FORMATION OF ETHYLENE FROM 2-OXOGLUTARATE. PROC. NATL. ACAD. SCI. V. 114 4667 2017 U.S.A.
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5V32 - MLT C4 H6 O5 C([C@H](C(....
2 5VKA - AKG C5 H6 O5 C(CC(=O)O)....
3 5V2T - TLA C4 H6 O6 [C@@H]([C@....
4 5VKB - AAR C6 H16 N5 O C(C[C@@H](....
5 5V31 - ARG C6 H15 N4 O2 C(C[C@@H](....
6 5V2X - AKG C5 H6 O5 C(CC(=O)O)....
7 5LUN - OGA C4 H5 N O5 C(C(=O)O)N....
8 5V2Y - ARG C6 H15 N4 O2 C(C[C@@H](....
9 5V2Z - ARG C6 H15 N4 O2 C(C[C@@H](....
10 5V34 - ARG C6 H15 N4 O2 C(C[C@@H](....
11 5MOF - AKG C5 H6 O5 C(CC(=O)O)....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5V32 - MLT C4 H6 O5 C([C@H](C(....
2 5VKA - AKG C5 H6 O5 C(CC(=O)O)....
3 5V2T - TLA C4 H6 O6 [C@@H]([C@....
4 5VKB - AAR C6 H16 N5 O C(C[C@@H](....
5 5V31 - ARG C6 H15 N4 O2 C(C[C@@H](....
6 5V2X - AKG C5 H6 O5 C(CC(=O)O)....
7 5LUN - OGA C4 H5 N O5 C(C(=O)O)N....
8 5V2Y - ARG C6 H15 N4 O2 C(C[C@@H](....
9 5V2Z - ARG C6 H15 N4 O2 C(C[C@@H](....
10 5V34 - ARG C6 H15 N4 O2 C(C[C@@H](....
11 5MOF - AKG C5 H6 O5 C(CC(=O)O)....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5V32 - MLT C4 H6 O5 C([C@H](C(....
2 5VKA - AKG C5 H6 O5 C(CC(=O)O)....
3 5V2T - TLA C4 H6 O6 [C@@H]([C@....
4 5VKB - AAR C6 H16 N5 O C(C[C@@H](....
5 5V31 - ARG C6 H15 N4 O2 C(C[C@@H](....
6 5V2X - AKG C5 H6 O5 C(CC(=O)O)....
7 5LUN - OGA C4 H5 N O5 C(C(=O)O)N....
8 5V2Y - ARG C6 H15 N4 O2 C(C[C@@H](....
9 5V2Z - ARG C6 H15 N4 O2 C(C[C@@H](....
10 5V34 - ARG C6 H15 N4 O2 C(C[C@@H](....
11 5MOF - AKG C5 H6 O5 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TLA; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 TAR 1 1
2 TLA 1 1
3 SRT 1 1
4 RAT 0.588235 1
5 LGT 0.588235 1
6 GAE 0.588235 1
7 LAC 0.5 0.611111
8 2OP 0.5 0.611111
9 IPM 0.47619 0.8
10 LFC 0.434783 0.777778
11 ICT 0.416667 0.727273
12 DXX 0.411765 0.777778
13 MAK 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5LUN; Ligand: ARG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5lun.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5LUN; Ligand: OGA; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 5lun.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5O9W AKG 24.7159
2 5C3R HMU 34.1108
3 5C3R AKG 34.1108
Pocket No.: 3; Query (leader) PDB : 5LUN; Ligand: OGA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5lun.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5LUN; Ligand: ARG; Similar sites found with APoc: 1
This union binding pocket(no: 4) in the query (biounit: 5lun.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 5O9W AKG 24.7159
Pocket No.: 5; Query (leader) PDB : 5LUN; Ligand: ARG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5lun.bio4) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5LUN; Ligand: OGA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5lun.bio4) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5LUN; Ligand: OGA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 5lun.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 5LUN; Ligand: ARG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 5lun.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
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