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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: 19
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 3IL 0.54902 0.870968
10 4Z9 0.54902 0.870968
11 9BF 0.54 0.65625
12 DTR 0.538462 0.787879
13 TRP 0.538462 0.787879
14 2SX 0.509804 0.870968
15 MYI 0.481481 0.794118
16 ICO 0.458333 0.758621
17 TR7 0.448276 0.694444
18 R59 0.424242 0.604651
19 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 with APoc: 105
This union binding pocket(no: 1) in the query (biounit: 5aog.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 2D7C GTP None
2 5MT9 ARG None
3 5MT9 SRO None
4 4LHW GNP None
5 5LLB 6YZ 1.52091
6 5UAV NDP 1.62866
7 3IAA TYD 1.62866
8 3RSC TYD 1.62866
9 5UAV TFB 1.62866
10 2IU8 PLM 1.62866
11 2RGO FAD 1.9544
12 2RGH FAD 1.9544
13 4XDY NAI 1.9544
14 4YCA NDP 2.04082
15 4ZDJ UTP 2.28013
16 4HY1 19X 2.28013
17 2JFN UMA 2.45614
18 6H21 UD1 2.60586
19 2BME GNP 2.68817
20 5BSH PRO 2.88809
21 5Y1G AKB 2.9316
22 3KYF 5GP 5GP 3.0303
23 5N5S NAP 3.1068
24 4XFM THE 3.23276
25 3NUG NAD 3.23887
26 5K4W NAI 3.25733
27 5K4W THR 3.25733
28 2CXG GLC GLC 3.25733
29 3C6K MTA 3.25733
30 3C6K SPD 3.25733
31 1YJQ NAP 3.30033
32 2AG8 NAP 3.42205
33 4B6C B5U 3.57143
34 1ZHX HC3 3.58306
35 3PCR GTP 3.7037
36 4GGL CJC 3.72093
37 2DT5 NAD 3.79147
38 1KIJ NOV 3.90879
39 4U9U FAD 3.91459
40 3BFV ADP 4.05904
41 5N2D 8J8 4.16667
42 4HZ0 1AV 4.22535
43 3EFV NAD 4.23453
44 2WME NAP 4.23453
45 2CWH NDP 4.23453
46 4RT1 C2E 4.46429
47 5JFL NAD 4.56026
48 5DBV COA 4.56026
49 2GLX NDP 4.56026
50 3GDH MGP 4.56432
51 5NIU 8YZ 4.6875
52 2Y5D NAP 5.21173
53 3NK7 SAM 5.41516
54 5Y4R C2E 5.44218
55 2AGD UDH 5.57491
56 2AGD NAG MAN BMA 5.57491
57 4PJT 2YQ 5.86319
58 3GYQ SAM 5.88235
59 2JL1 NAP 5.92335
60 4JAL SAH 5.98802
61 5J6D 6H5 6.18893
62 5XLS URA 6.18893
63 5W3K NDP 6.18893
64 2D7D ADP 6.18893
65 5W3K 9TY 6.18893
66 1JAY NAP 6.60377
67 4EMV 0R9 6.63717
68 1R4A GNP 6.66667
69 2RDE C2E 6.77291
70 2C1P FNZ 6.88073
71 1UPT GTP 7.01754
72 5OLZ T4E 7.16612
73 4I3V NAD 7.16612
74 3QBT GNP 7.47126
75 3KYG 5GP 5GP 7.48899
76 2JLB UDM 7.49186
77 2A5F GTP 7.77202
78 3K5I ADP 7.81759
79 6AA8 NAD 7.94702
80 4NP3 2L2 8
81 1EK6 UPG 8.14332
82 1EK6 NAI 8.14332
83 5EE5 GTP 8.4507
84 1Z0K GTP 8.69565
85 6BSX GDP 8.98876
86 6BSX E7S 8.98876
87 4POO SAM 9
88 4K49 HFQ 9.55882
89 1O3Y GTP 9.63855
90 1J2J GTP 9.63855
91 2J59 GTP 9.63855
92 1KY8 NAP 10.0977
93 3VZ3 SSN 10.0977
94 3VZ3 NAP 10.0977
95 2W83 GTP 10.303
96 3AKK ADP 10.4235
97 2AHR NAP 10.4247
98 2GZ3 NAP 10.7492
99 4C4P GNP 11.215
100 4KAX GTP 12.4224
101 4ZUL UN1 12.7036
102 3T34 GDP 13.6808
103 5DI3 GNP 13.6882
104 4M9Q GNP 15.859
105 4BAE RWX 24.3902
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