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Receptor
PDB id Resolution Class Description Source Keywords
2YKX 1.85 Å EC: 2.-.-.- STRUCTURAL DETERMINANTS OF THE BETA-SELECTIVITY OF A BACTERI AMINOTRANSFERASE MESORHIZOBIUM SP. LUK TRANSFERASE
Ref.: STRUCTURAL DETERMINANTS OF THE BETA-SELECTIVITY OF BACTERIAL AMINOTRANSFERASE. J.BIOL.CHEM. V. 287 28495 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG A:1445;
B:1445;
C:1446;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
146.098 C5 H6 O5 C(CC(...
EDO A:1447;
C:1445;
C:1447;
C:1448;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GOL A:1446;
A:1448;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PLP A:1280;
B:1280;
C:1280;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YKX 1.85 Å EC: 2.-.-.- STRUCTURAL DETERMINANTS OF THE BETA-SELECTIVITY OF A BACTERI AMINOTRANSFERASE MESORHIZOBIUM SP. LUK TRANSFERASE
Ref.: STRUCTURAL DETERMINANTS OF THE BETA-SELECTIVITY OF BACTERIAL AMINOTRANSFERASE. J.BIOL.CHEM. V. 287 28495 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 2YKX - 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 237 families.
1 2YKX - AKG C5 H6 O5 C(CC(=O)O)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 4AOA - IK2 C10 H15 N2 O8 P Cc1c(c(c(c....
2 2YKX - AKG C5 H6 O5 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AKG; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 SIN 0.526316 0.833333
3 OOG 0.5 0.947368
4 69O 0.458333 0.714286
5 2IT 0.423077 0.615385
6 SHF 0.416667 0.666667
7 3PY 0.409091 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YKX; Ligand: AKG; Similar sites found with APoc: 66
This union binding pocket(no: 1) in the query (biounit: 2ykx.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 2XVF FAD 1.50862
2 3QVP FAD 1.72043
3 1GPE FAD 1.72043
4 1V7C HEY 1.9943
5 4CZG QH3 2.01149
6 4CZG ADP 2.01149
7 3ZNR NU9 2.12766
8 1QO8 FAD 2.15054
9 1PMO PLR 2.15054
10 4LXH C1E 2.16606
11 4YHB FAD 2.1978
12 3RFV NAI 2.62172
13 4KBA 1QM 2.71903
14 3EWC MCF 2.96496
15 1PZX PLM 3.11419
16 5NQR 958 3.19635
17 1N9G NAP 3.36788
18 4ZUL UN1 3.44086
19 2WW5 CHT 3.65591
20 4QTB 38Z 3.68421
21 2D4V NAD 3.7296
22 4H3Q ANP 3.8674
23 4WOP CTP 4
24 1NZY BCA 4.08922
25 4Z3X MTE 4.30108
26 4Z3X 4KX 4.30108
27 4PZ2 NAD 4.30108
28 3LM9 FRU 4.30464
29 1ZDU P3A 4.4898
30 5L2R LMR 4.51613
31 4ZXA H8N 5.01475
32 5EF7 5OJ 5.21978
33 4IMG NGF 5.46075
34 3KRU FMN 5.53936
35 5K0A FAD 5.75758
36 3MJY IJZ 5.78035
37 3MJY FMN 5.78035
38 4WZH FMN 6.05187
39 5N0L ILE 6.28931
40 4D7E FAD 6.99301
41 3GGO ENO 7.00637
42 3GGO NAI 7.00637
43 4MDH NAD 7.52688
44 3GBR PRP 7.53623
45 3VC3 C6P 7.95699
46 4D9C PMP 8.18713
47 3ITJ FAD 8.28402
48 4ZSY RW2 8.89371
49 1GS5 NLG 10.0775
50 1GS5 ANP 10.0775
51 3H86 AP5 10.4167
52 5W10 CMP 10.7692
53 5DDW 5B6 12.043
54 3DU4 KAP 26.3393
55 4UOX PLP PUT 29.6774
56 4UOX PUT 29.6774
57 2OAT PFM 30.0683
58 5WYF ILP 30.0866
59 5G09 6DF 30.9677
60 4B98 PXG 31.4732
61 3DXW ICC 34.292
62 1SFF IK2 36.6197
63 1MLY ACZ PLP 38.2284
64 5KGS 6SR 40.2151
65 4ADC PLP 40.6404
66 3FQ8 PMP 45.4333
Pocket No.: 2; Query (leader) PDB : 2YKX; Ligand: AKG; Similar sites found with APoc: 12
This union binding pocket(no: 2) in the query (biounit: 2ykx.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1QXO FMN 1.54639
2 4UX9 ANP 1.72043
3 6FYZ EBE 2.53165
4 1CX4 CMP 2.62295
5 1JXZ BCA 4.08922
6 1V8B NAD 4.30108
7 3EXH TPP 5.49738
8 3GE7 AFQ 6.47668
9 2TPS TPS 8.81057
10 4AZ3 S35 9.03226
11 3IPQ 965 9.54064
12 5G4J EXT 32.287
Pocket No.: 3; Query (leader) PDB : 2YKX; Ligand: AKG; Similar sites found with APoc: 5
This union binding pocket(no: 3) in the query (biounit: 2ykx.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 2CJH AKG 12.6949
2 6FYQ PLP 29.6774
3 1ZC9 PMP 30.485
4 4UHO PLP 35.2688
5 3BS8 PMP 47.2603
Pocket No.: 4; Query (leader) PDB : 2YKX; Ligand: AKG; 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: 2ykx.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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