Receptor
PDB id Resolution Class Description Source Keywords
5V34 1.48 Å NON-ENZYME: OTHER ETHYLENE FORMING ENZYME IN COMPLEX WITH MANGANESE, MALIC ACI ARGININE 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
MLT A:403;
Valid;
none;
submit data
134.087 C4 H6 O5 C([C@...
ARG A:401;
Valid;
none;
submit data
175.209 C6 H15 N4 O2 C(C[C...
MN A:402;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
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: MLT; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 LMR 1 1
2 MLT 1 1
3 DMR 1 1
4 DGY 0.52381 0.818182
5 3HG 0.52381 0.761905
6 3HL 0.5 0.666667
7 3HR 0.5 0.666667
8 TRC 0.478261 0.666667
9 S2G 0.461538 0.809524
10 2HG 0.461538 0.809524
11 2RH 0.458333 0.652174
12 ICT 0.444444 0.904762
Ligand no: 2; Ligand: ARG; Similar ligands found: 42
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG 1 1
2 DAR 1 1
3 CIR 0.735294 0.763158
4 AAR 0.705882 0.783784
5 ILO 0.615385 0.783784
6 3AR 0.595238 0.891892
7 4JK 0.585366 0.789474
8 NMM 0.585366 0.888889
9 VUR 0.585366 0.810811
10 HAR 0.585366 0.780488
11 VIO 0.581395 0.769231
12 WT2 0.571429 0.805556
13 DA2 0.55814 0.744186
14 2MR 0.545455 0.864865
15 2YH 0.545455 0.65
16 3KJ 0.545455 0.680851
17 1KJ 0.533333 0.744186
18 JM2 0.533333 0.731707
19 NRG 0.521739 0.622642
20 RPI 0.521739 0.64
21 2YJ 0.521739 0.619048
22 API 0.515152 0.611111
23 LN6 0.510638 0.725
24 HRG 0.5 0.941176
25 JM7 0.5 0.731707
26 2KJ 0.489796 0.727273
27 D20 0.489796 0.744186
28 AS1 0.489796 0.8
29 ORN 0.472222 0.757576
30 JM8 0.470588 0.714286
31 JM6 0.470588 0.697674
32 JM4 0.470588 0.697674
33 LYS ARG LYS ARG LYS ARG LYS ARG 0.463415 0.848485
34 MLZ 0.463415 0.65
35 JM5 0.461538 0.714286
36 DLY 0.447368 0.735294
37 DAB 0.441176 0.685714
38 LYS 0.435897 0.764706
39 0TF 0.428571 0.619048
40 2YG 0.42 0.619048
41 PG3 0.416667 0.756757
42 6CL 0.414634 0.638889
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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