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Receptor
PDB id Resolution Class Description Source Keywords
1O7N 1.4 Å EC: 1.14.12.12 NAPHTHALENE 1,2-DIOXYGENASE, TERNARY COMPLEX WITH DIOXYGEN A PSEUDOMONAS PUTIDA OXIDOREDUCTASE NON-HEME IRON DIOXYGENASE ENZYME-SUBSTRATE IRON-SULFUR AROMATIC HYDROCARBON CATABOLISM
Ref.: CRYSTAL STRUCTURE OF NAPHTHALENE DIOXYGENASE: SIDE-BINDING OF DIOXYGEN TO IRON SCIENCE V. 299 1039 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:1448;
A:1449;
A:1450;
A:1451;
B:1695;
B:1696;
G:3;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
FE A:1456;
 Part of Protein;
 none;
 submit data
55.845 Fe [Fe+3...
FES A:1455;
 Part of Protein;
 none;
 submit data
175.82 Fe2 S2 S1[Fe...
IND A:1452;
 Valid;
 none;
 submit data
117.148 C8 H7 N c1ccc...
OXY A:1453;
 Invalid;
 none;
 submit data
31.999 O2 O=O
SO4 A:1454;
B:1697;
B:1698;
B:1699;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1O7N 1.4 Å EC: 1.14.12.12 NAPHTHALENE 1,2-DIOXYGENASE, TERNARY COMPLEX WITH DIOXYGEN A PSEUDOMONAS PUTIDA OXIDOREDUCTASE NON-HEME IRON DIOXYGENASE ENZYME-SUBSTRATE IRON-SULFUR AROMATIC HYDROCARBON CATABOLISM
Ref.: CRYSTAL STRUCTURE OF NAPHTHALENE DIOXYGENASE: SIDE-BINDING OF DIOXYGEN TO IRON SCIENCE V. 299 1039 2003
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1O7G - NPY C10 H8 c1ccc2cccc....
2 2HMM - AN3 C14 H10 c1ccc2cc3c....
3 1UUV - IND C8 H7 N c1ccc2c(c1....
4 2HMO - 3NT C7 H7 N O2 Cc1cccc(c1....
5 2HML - PEY C14 H10 c1ccc2c(c1....
6 1EG9 - IND C8 H7 N c1ccc2c(c1....
7 1O7N - IND C8 H7 N c1ccc2c(c1....
8 2HMK - PEY C14 H10 c1ccc2c(c1....
9 2HMN - AN3 C14 H10 c1ccc2cc3c....
10 1O7P - NDH C10 H10 O2 c1ccc2c(c1....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2BMR - 3NT C7 H7 N O2 Cc1cccc(c1....
2 2BMQ - NBZ C6 H5 N O2 c1ccc(cc1)....
3 1O7G - NPY C10 H8 c1ccc2cccc....
4 2HMM - AN3 C14 H10 c1ccc2cc3c....
5 1UUV - IND C8 H7 N c1ccc2c(c1....
6 2HMO - 3NT C7 H7 N O2 Cc1cccc(c1....
7 2HML - PEY C14 H10 c1ccc2c(c1....
8 1EG9 - IND C8 H7 N c1ccc2c(c1....
9 1O7N - IND C8 H7 N c1ccc2c(c1....
10 2HMK - PEY C14 H10 c1ccc2c(c1....
11 2HMN - AN3 C14 H10 c1ccc2cc3c....
12 1O7P - NDH C10 H10 O2 c1ccc2c(c1....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2BMR - 3NT C7 H7 N O2 Cc1cccc(c1....
2 2BMQ - NBZ C6 H5 N O2 c1ccc(cc1)....
3 1O7G - NPY C10 H8 c1ccc2cccc....
4 2HMM - AN3 C14 H10 c1ccc2cc3c....
5 1UUV - IND C8 H7 N c1ccc2c(c1....
6 2HMO - 3NT C7 H7 N O2 Cc1cccc(c1....
7 2HML - PEY C14 H10 c1ccc2c(c1....
8 1EG9 - IND C8 H7 N c1ccc2c(c1....
9 1O7N - IND C8 H7 N c1ccc2c(c1....
10 2HMK - PEY C14 H10 c1ccc2c(c1....
11 2HMN - AN3 C14 H10 c1ccc2cc3c....
12 1O7P - NDH C10 H10 O2 c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IND; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 IND 1 1
2 11S 0.405405 0.789474
3 5MI 0.405405 0.9375
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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