Receptor
PDB id Resolution Class Description Source Keywords
5EPA 2.24 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF NON-HEME ALPHA KETOGLUTARATE DEPENDENT CARBOCYCLASE SNOK FROM NOGALAMYCIN BIOSYNTHESIS STREPTOMYCES NOGALATER NON-HEME IRON CENTER POLYKETIDE BIOSYNTHESIS LYASE
Ref.: DIVERGENT NON-HEME IRON ENZYMES IN THE NOGALAMYCIN BIOSYNTHETIC PATHWAY. PROC.NATL.ACAD.SCI.USA V. 113 5251 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG C:301;
E:301;
A:301;
D:302;
F:301;
B:302;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
146.098 C5 H6 O5 C(CC(...
FE C:300;
A:300;
E:300;
B:301;
D:301;
F:300;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
55.845 Fe [Fe+3...
MG B:303;
D:304;
D:303;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EPA 2.24 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF NON-HEME ALPHA KETOGLUTARATE DEPENDENT CARBOCYCLASE SNOK FROM NOGALAMYCIN BIOSYNTHESIS STREPTOMYCES NOGALATER NON-HEME IRON CENTER POLYKETIDE BIOSYNTHESIS LYASE
Ref.: DIVERGENT NON-HEME IRON ENZYMES IN THE NOGALAMYCIN BIOSYNTHETIC PATHWAY. PROC.NATL.ACAD.SCI.USA V. 113 5251 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5EPA - AKG C5 H6 O5 C(CC(=O)O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5EPA - AKG C5 H6 O5 C(CC(=O)O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5EPA - AKG C5 H6 O5 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AKG; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 OOG 0.5 0.947368
3 69O 0.458333 0.714286
4 2IT 0.423077 0.615385
5 SHF 0.416667 0.666667
6 3PY 0.409091 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5EPA; Ligand: AKG; Similar sites found: 71
This union binding pocket(no: 1) in the query (biounit: 5epa.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5I0U DCY 0.0002343 0.49054 None
2 2QM9 TDZ 0.02365 0.40515 1.29032
3 4IJP 1EH 0.02509 0.40217 1.79211
4 1ODM ASV 0.0006929 0.48965 2.15054
5 4QM9 CYS 0.002937 0.43249 2.31214
6 4RFR RHN 0.000006199 0.58383 2.46305
7 4QRH 0O2 0.01271 0.41738 2.85714
8 4M26 AKG 0.0001177 0.50258 2.86738
9 4P7X YCP 0.00001651 0.47605 2.86738
10 4P7X AKG 0.00001651 0.47605 2.86738
11 1LRH NLA 0.003592 0.41441 3.06748
12 2BOY BHO 0.003244 0.4063 3.14961
13 4Y3O OGA 0.0006288 0.46834 3.22581
14 2Q8C AKG 0.001281 0.44783 3.22581
15 5FWE OGA 0.001593 0.44473 3.22581
16 5LY2 OGA 0.00164 0.44333 3.22581
17 5F3I 5UJ 0.02092 0.43837 3.22581
18 2OS2 OGA 0.002467 0.43657 3.22581
19 2Q8E OGA 0.002721 0.43427 3.22581
20 2YBP 2HG 0.003376 0.4296 3.22581
21 4CCK OGA 0.001217 0.4274 3.22581
22 4J7U YTZ 0.03464 0.41909 3.22581
23 4J7U NAP 0.03464 0.41909 3.22581
24 5FLJ QUE 0.01924 0.40979 3.22581
25 3N9O OGA 0.0000322 0.53117 3.58423
26 3KV4 OGA 0.00004706 0.52066 3.58423
27 3N9Q OGA 0.00003319 0.49548 3.58423
28 3N9P OGA 0.00005001 0.48761 3.58423
29 3PUR 2HG 0.000778 0.46147 3.58423
30 1ZHX HC3 0.03743 0.40051 3.58423
31 4GJY OGA 0.00001882 0.5465 4.25532
32 1OIJ AKG 0.000008522 0.56107 4.30108
33 1ZB6 GST 0.01139 0.43189 4.30108
34 1ZB6 DIN 0.01075 0.43189 4.30108
35 5FP3 3JI 0.0001365 0.41306 4.30108
36 2IUW AKG 0.001218 0.48326 4.62185
37 4BQY FNT 0.00001482 0.4574 4.7619
38 2OG7 SIN 0.000007102 0.50547 5.01792
39 5A3T MMK 0.007217 0.44371 5.01792
40 4BXF AKG 0.0003714 0.47742 5.37634
41 4JZR 4JR 0.0001001 0.48794 5.55556
42 1ERB ETR 0.01535 0.42237 5.73477
43 5C5T AKG 0.0005235 0.45822 6.14035
44 1OS7 TAU 0.0002009 0.41416 6.45161
45 1OS7 AKG 0.0002009 0.41416 6.45161
46 3OPT AKG 0.0008033 0.46053 6.81004
47 5C3R HMU 0.0000536 0.44516 8.16327
48 5C3R AKG 0.0000536 0.44516 8.16327
49 3AVS OGA 0.0001546 0.49622 8.24373
50 3AVR OGA 0.0004642 0.47162 8.24373
51 2WBP ZZU 0.00006 0.41912 8.24373
52 2WBP SIN 0.00006 0.41912 8.24373
53 5TFZ 7BC 0.003569 0.41881 8.66667
54 1NX4 AKG 0.02376 0.40958 8.79121
55 5JSP DQY 0.0115 0.40243 8.95522
56 4UF0 MMK 0.004062 0.43207 9.319
57 5KR7 6X9 0.003973 0.40286 9.67742
58 5HV0 AKG 0.00001981 0.54977 11.0599
59 4NPL AKG 0.00001927 0.52181 12
60 4OCT AKG 0.00004184 0.49642 12.1622
61 3MVH WFE 0.01581 0.4243 12.1864
62 4XCB AKG 0.000003773 0.57088 17.2414
63 4XCB HY0 0.000009969 0.42407 17.2414
64 2P5B OGA 0.006318 0.42254 18.1818
65 2FCU AKG 0.000000002606 0.69879 20.4473
66 2JIG PD2 0.00004163 0.50807 24.5536
67 2XUM OGA 0.00000555 0.52798 25
68 2A1X AKG 0.0000005667 0.52591 33.6918
69 4QXB OGA 0.000003006 0.56005 33.8235
70 2RDQ AKG 0.00002848 0.43699 34.4086
71 3HQR OGA 0.0002002 0.46015 47.0588
Pocket No.: 2; Query (leader) PDB : 5EPA; Ligand: AKG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5epa.bio6) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5EPA; Ligand: AKG; Similar sites found: 2
This union binding pocket(no: 3) in the query (biounit: 5epa.bio3) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4AZ6 OAN 0.01514 0.40582 2.86738
2 3UDZ ADP 0.02549 0.4001 9.67742
Pocket No.: 4; Query (leader) PDB : 5EPA; Ligand: AKG; Similar sites found: 1
This union binding pocket(no: 4) in the query (biounit: 5epa.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3SAO NKN 0.01376 0.40338 5.625
Pocket No.: 5; Query (leader) PDB : 5EPA; Ligand: AKG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5epa.bio5) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5EPA; Ligand: AKG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5epa.bio4) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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