Receptor
PDB id Resolution Class Description Source Keywords
5MOF 1.45 Å NON-ENZYME: OTHER ETHYLENE FORMING ENZYME FROM PSEUDOMONAS SYRINGAE PV. PHASEO I222 CRYSTAL FORM IN COMPLEX WITH MANGANESE AND 2-OXOGLUTAR 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.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:401;
A:402;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
GOL A:406;
A:407;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
CL A:403;
Invalid;
none;
submit data
35.453 Cl [Cl-]
AKG A:404;
A:405;
Valid;
Valid;
none;
Atoms found LESS than expected: % Diff = 0;
submit data
146.098 C5 H6 O5 C(CC(...
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: AKG; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 SIN 0.526316 0.833333
3 OOG 0.5 0.947368
4 69O 0.458333 0.714286
5 2IT 0.423077 0.615385
6 SHF 0.416667 0.666667
7 3PY 0.409091 0.652174
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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