-->
Receptor
PDB id Resolution Class Description Source Keywords
3NKT 2.35 Å EC: 1.13.11.4 CRYSTAL STRUCTURE OF SALICYLATE 1,2-DIOXYGENASE FROM PSEUDOA SALICYLATOXIDANS ADDUCTS WITH NAPHTHOATE PSEUDAMINOBACTER SALICYLATOXIDANS BETA-SANDWICH OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF SALICYLATE 1,2-DIOXYGENASE-SU ADDUCTS: A STEP TOWARDS THE COMPREHENSION OF THE ST BASIS FOR SUBSTRATE SELECTION IN CLASS III RING CLE DIOXYGENASES. J.STRUCT.BIOL. V. 177 431 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1HN A:370;
Valid;
none;
submit data
188.179 C11 H8 O3 c1ccc...
FE2 A:369;
Part of Protein;
none;
submit data
55.845 Fe [Fe+2...
GOL A:371;
A:372;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3NKT 2.35 Å EC: 1.13.11.4 CRYSTAL STRUCTURE OF SALICYLATE 1,2-DIOXYGENASE FROM PSEUDOA SALICYLATOXIDANS ADDUCTS WITH NAPHTHOATE PSEUDAMINOBACTER SALICYLATOXIDANS BETA-SANDWICH OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF SALICYLATE 1,2-DIOXYGENASE-SU ADDUCTS: A STEP TOWARDS THE COMPREHENSION OF THE ST BASIS FOR SUBSTRATE SELECTION IN CLASS III RING CLE DIOXYGENASES. J.STRUCT.BIOL. V. 177 431 2012
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3NL1 - GTQ C7 H6 O4 c1cc(c(cc1....
2 3NJZ - SAL C7 H6 O3 c1ccc(c(c1....
3 3NKT - 1HN C11 H8 O3 c1ccc2c(c1....
4 4FAG - GTQ C7 H6 O4 c1cc(c(cc1....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3NL1 - GTQ C7 H6 O4 c1cc(c(cc1....
2 3NJZ - SAL C7 H6 O3 c1ccc(c(c1....
3 3NKT - 1HN C11 H8 O3 c1ccc2c(c1....
4 4FAG - GTQ C7 H6 O4 c1cc(c(cc1....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3NL1 - GTQ C7 H6 O4 c1cc(c(cc1....
2 3NJZ - SAL C7 H6 O3 c1ccc(c(c1....
3 3NKT - 1HN C11 H8 O3 c1ccc2c(c1....
4 4FAG - GTQ C7 H6 O4 c1cc(c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1HN; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1HN 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3NKT; Ligand: 1HN; Similar sites found with APoc: 42
This union binding pocket(no: 1) in the query (biounit: 3nkt.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1DRY AAG 2.16049
2 1DRY AKG 2.16049
3 5Y4K AKR 2.17391
4 5YBN AKG 2.54777
5 5JWP AKG 2.55682
6 2Y0I AKG 2.55682
7 2WA4 069 2.5788
8 1H2K OGA 2.5788
9 2XUM OGA 2.5788
10 3P3N AKG 2.5788
11 4B7E OGA 2.5788
12 2VYT MLZ 2.71493
13 5NW7 9C2 2.71739
14 1Y9Q MED 2.71739
15 5MB4 NAG 3.26087
16 5FPX GLY SER SER HIS HIS HIS HIS HIS 4.42478
17 3MPB FRU 4.47154
18 5EO8 TFU 4.50161
19 6EOZ AKG 4.54545
20 6EOZ 58K 4.54545
21 2A1X AKG 4.54545
22 4YRD 3IT 5.01393
23 1ZZ7 S0H 5.05051
24 3SCH TB6 5.05051
25 3WW2 SF6 5.07812
26 5I0U DCY 5.5
27 5C3R HMU 5.53936
28 5C3R AKG 5.53936
29 2ET1 GLV 5.97015
30 1GQG DCD 6.28571
31 4HSJ 6PC 9.1954
32 5JSP DQY 9.95025
33 5FLJ QUE 10.7527
34 3H9A PPY 11.5226
35 1H2M OGA 11.5385
36 3H7J PPY 12.3457
37 5OO5 UUA 12.9032
38 4ZU4 4TG 13.5135
39 5FQ0 FLC 18.4211
40 5TFZ 7BC 19.3333
41 4QM9 CYS 19.6532
42 4CCO OGA 25
Pocket No.: 2; Query (leader) PDB : 3NKT; Ligand: 1HN; 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: 3nkt.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3NKT; Ligand: 1HN; 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: 3nkt.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3NKT; Ligand: 1HN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3nkt.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback