Receptor
PDB id Resolution Class Description Source Keywords
5VKA 1.17 Å NON-ENZYME: OTHER ETHYLENE FORMING ENZYME IN COMPLEX WITH MANGANESE, 2-OXOGLUT N-OMEGA-HYDROXY-L-ARGININE PSEUDOMONAS SAVASTANOI PV. PHASEOLICOLORGANISM_TAXID: 319 2-OXOGLUTARATE N-OMEGA-HYDROXY-L-ARGININE 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...
AKG A:402;
Valid;
none;
submit data
146.098 C5 H6 O5 C(CC(...
HAR A:403;
Valid;
none;
submit data
190.2 C6 H14 N4 O3 C(C[C...
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
Ligand no: 2; Ligand: HAR; Similar ligands found: 36
No: Ligand ECFP6 Tc MDL keys Tc
1 HAR 1 1
2 NMM 0.707317 0.744186
3 NRG 0.666667 0.722222
4 NNH 0.65 0.928571
5 1KJ 0.644444 0.906977
6 RPI 0.630435 0.711538
7 ILO 0.619048 0.659091
8 CIR 0.6 0.681818
9 D20 0.591837 0.673469
10 AS1 0.591837 0.717391
11 2KJ 0.591837 0.886364
12 4JK 0.590909 0.704545
13 VUR 0.590909 0.681818
14 DAR 0.585366 0.780488
15 ARG 0.585366 0.780488
16 WT2 0.577778 0.714286
17 DA2 0.565217 0.64
18 3KJ 0.553191 0.829787
19 ONH 0.55 0.804878
20 JM2 0.541667 0.625
21 LN6 0.52 0.617021
22 HRG 0.511111 0.780488
23 JM7 0.509804 0.625
24 JM4 0.509434 0.6
25 3AR 0.5 0.711111
26 VIO 0.489796 0.617021
27 2MR 0.489796 0.727273
28 JM6 0.481481 0.6
29 JM8 0.481481 0.612245
30 JM5 0.472727 0.612245
31 AHL 0.468085 0.787234
32 5KJ 0.431373 0.78
33 BHH 0.428571 0.772727
34 ORN 0.414634 0.625
35 6HN 0.413043 0.607843
36 AAR 0.4 0.622222
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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