Receptor
PDB id Resolution Class Description Source Keywords
5AOG 1.27 Å EC: 1.11.1.7 STRUCTURE OF SORGHUM PEROXIDASE SORGHUM BICOLOR OXIDOREDUCTASE HEME PEROXIDASE GLYCOSLYLATION SORGHUM PLPEROXIDASE
Ref.: STRUCTURAL AND SPECTROSCOPIC CHARACTERISATION OF A PEROXIDASE FROM SORGHUM. J.BIOL.INORG.CHEM. V. 21 63 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG FUC NAG BMA XYP MAN A:1347;
Invalid;
none;
submit data n/a n/a n/a n/a
CA A:1342;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
IAC A:1345;
Valid;
none;
submit data
175.184 C10 H9 N O2 c1ccc...
NA A:1343;
Part of Protein;
none;
submit data
22.99 Na [Na+]
HEM A:1341;
Part of Protein;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
GOL A:1344;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NAG FUC NAG A:1346;
Invalid;
none;
submit data n/a n/a n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5AOG 1.27 Å EC: 1.11.1.7 STRUCTURE OF SORGHUM PEROXIDASE SORGHUM BICOLOR OXIDOREDUCTASE HEME PEROXIDASE GLYCOSLYLATION SORGHUM PLPEROXIDASE
Ref.: STRUCTURAL AND SPECTROSCOPIC CHARACTERISATION OF A PEROXIDASE FROM SORGHUM. J.BIOL.INORG.CHEM. V. 21 63 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5AOG - IAC C10 H9 N O2 c1ccc2c(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5AOG - IAC C10 H9 N O2 c1ccc2c(c1....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4ATJ - BHO C7 H7 N O2 c1ccc(cc1)....
2 2ATJ - BHO C7 H7 N O2 c1ccc(cc1)....
3 5AOG - IAC C10 H9 N O2 c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IAC; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 IAC 1 1
2 TSR 0.714286 0.676471
3 ITW 0.680851 0.806452
4 IAG 0.66 0.658537
5 IOP 0.617021 0.964286
6 IAD 0.589286 0.658537
7 3IB 0.58 0.931035
8 IAV 0.561404 0.658537
9 4Z9 0.54902 0.870968
10 3IL 0.54902 0.870968
11 DTR 0.538462 0.787879
12 TRP 0.538462 0.787879
13 2SX 0.509804 0.870968
14 MYI 0.481481 0.794118
15 ICO 0.458333 0.758621
16 TR7 0.448276 0.694444
17 R59 0.424242 0.604651
18 R38 0.424242 0.604651
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5AOG; Ligand: IAC; Similar sites found: 28
This union binding pocket(no: 1) in the query (biounit: 5aog.bio1) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2D7C GTP 0.0184 0.44937 None
2 5UAV NDP 0.01579 0.42669 1.62866
3 5UAV TFB 0.01579 0.42669 1.62866
4 3RSC TYD 0.0219 0.41094 1.62866
5 2JFN UMA 0.01205 0.45061 2.45614
6 2BME GNP 0.02195 0.43203 2.68817
7 5BSH PRO 0.001976 0.48198 2.88809
8 4XFM THE 0.006084 0.41394 3.23276
9 3C6K MTA 0.01458 0.40187 3.25733
10 3C6K SPD 0.01458 0.40187 3.25733
11 1YJQ NAP 0.01902 0.40228 3.30033
12 4B6C B5U 0.02617 0.42278 3.57143
13 4F06 PHB 0.00128 0.44387 3.58306
14 1ZHX HC3 0.0003771 0.41207 3.58306
15 2CWH NDP 0.04862 0.40574 4.23453
16 2GLX NDP 0.04071 0.41366 4.56026
17 3NK7 SAM 0.003232 0.43166 5.41516
18 4JAL SAH 0.005397 0.45776 5.98802
19 2D7D ADP 0.03855 0.41123 6.18893
20 1JAY NAP 0.0386 0.41833 6.60377
21 2RDE C2E 0.00001583 0.43997 6.77291
22 5EE5 GTP 0.00421 0.48678 8.4507
23 4POO SAM 0.001255 0.4448 9
24 1O3Y GTP 0.007304 0.44604 9.63855
25 2J59 GTP 0.01013 0.41392 9.63855
26 2W83 GTP 0.004835 0.48991 10.303
27 2GZ3 NAP 0.00565 0.40638 10.7492
28 4BAE RWX 0.00807 0.40272 24.3902
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