Receptor
PDB id Resolution Class Description Source Keywords
4KVL 1.96 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF ORYZA SATIVA FATTY ACID ALPHA-DIOXYGENA WITH PALMITIC ACID ORYZA SATIVA PIOX COX-LIKE PROTEIN FATTY ACID ALPHA-DIOXYGENASE HEME BCALCIUM BINDING MONOTOPIC MEMBRANE PROTEIN OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF ALPHA-DIOXYGENASE FROM ORYZA INSIGHTS INTO SUBSTRATE BINDING AND ACTIVATION BY H PEROXIDE. PROTEIN SCI. V. 22 1432 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BOG A:706;
A:710;
Invalid;
Invalid;
none;
none;
submit data
292.369 C14 H28 O6 CCCCC...
PGE A:713;
A:715;
A:714;
A:709;
A:712;
A:708;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
150.173 C6 H14 O4 C(COC...
PG4 A:711;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
1PE A:707;
Invalid;
none;
submit data
238.278 C10 H22 O6 C(COC...
CA A:703;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
HEM A:701;
Part of Protein;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
CL A:717;
A:716;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
PLM A:704;
A:702;
Invalid;
Valid;
none;
none;
submit data
256.424 C16 H32 O2 CCCCC...
IMD A:705;
Invalid;
none;
submit data
69.085 C3 H5 N2 c1c[n...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KVL 1.96 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF ORYZA SATIVA FATTY ACID ALPHA-DIOXYGENA WITH PALMITIC ACID ORYZA SATIVA PIOX COX-LIKE PROTEIN FATTY ACID ALPHA-DIOXYGENASE HEME BCALCIUM BINDING MONOTOPIC MEMBRANE PROTEIN OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF ALPHA-DIOXYGENASE FROM ORYZA INSIGHTS INTO SUBSTRATE BINDING AND ACTIVATION BY H PEROXIDE. PROTEIN SCI. V. 22 1432 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 352 families.
1 4KVL - PLM C16 H32 O2 CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 311 families.
1 4KVL - PLM C16 H32 O2 CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 207 families.
1 4KVL - PLM C16 H32 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PLM; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 KNA 1 1
3 X90 1 1
4 11A 1 1
5 F23 1 1
6 DKA 1 1
7 DCR 1 1
8 PLM 1 1
9 TDA 1 1
10 EW8 1 1
11 STE 1 1
12 DAO 1 1
13 F15 1 1
14 OCA 0.956522 1
15 SHV 0.833333 0.952381
16 KTC 0.793103 0.875
17 AZ1 0.73913 0.64
18 6NA 0.72 0.904762
19 NER 0.71875 0.954545
20 OLA 0.71875 0.954545
21 ELA 0.71875 0.954545
22 PAM 0.666667 0.954545
23 VCA 0.666667 0.954545
24 PML 0.625 0.6
25 3LA 0.606061 0.8
26 LEA 0.6 0.809524
27 MYZ 0.588235 0.909091
28 12H 0.586207 0.615385
29 ODD 0.567568 0.913043
30 BRC 0.566667 0.666667
31 14V 0.555556 0.740741
32 M12 0.545455 0.869565
33 14U 0.542857 0.703704
34 EOD 0.538462 0.7
35 EIC 0.538462 0.913043
36 BNV 0.5 0.954545
37 BMJ 0.5 0.954545
38 D0G 0.5 0.954545
39 BUA 0.48 0.666667
40 RCL 0.468085 0.84
41 HXD 0.459459 0.807692
42 56S 0.459459 0.653846
43 FTT 0.459459 0.807692
44 ODT 0.452381 0.782609
45 3X1 0.444444 0.818182
46 LNL 0.44186 0.826087
47 OOA 0.441176 0.76
48 9J6 0.441176 0.666667
49 CUY 0.435897 0.68
50 CNS 0.435897 0.68
51 6UL 0.435897 0.68
52 5UF 0.432432 0.807692
53 243 0.428571 0.807692
54 GYM 0.418605 0.606061
55 1QW 0.418605 0.606061
56 1DO 0.413793 0.75
57 F09 0.413793 0.75
58 DE1 0.413793 0.75
59 O8N 0.413793 0.75
60 OC9 0.413793 0.75
61 PL3 0.413793 0.75
62 T25 0.403846 0.677419
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4KVL; Ligand: PLM; 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: 4kvl.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4KVL; Ligand: PLM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4kvl.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
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