Receptor
PDB id Resolution Class Description Source Keywords
5G2Q 2.3 Å EC: 2.6.1.- THE CRYSTAL STRUCTURE OF A S-SELECTIVE TRANSAMINASE FROM ARTHROBACTER SP. WITH ALANINE BOUND ARTHROBACTER SP. TRANSFERASE TRANSAMINASE
Ref.: STRUCTURAL BASIS OF SUBSTRATE RANGE AND ENANTIOSELE OF TWO S-SELECTIVE OMEGA- TRANSAMINASES BIOCHEMISTRY V. 55 4422 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PDA J:1000;
D:1000;
H:1000;
A:1000;
K:1000;
L:1000;
F:1000;
E:1000;
C:1000;
B:1000;
I:1000;
G:1000;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
320.236 C11 H17 N2 O7 P Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5G09 1.9 Å EC: 2.6.1.- THE CRYSTAL STRUCTURE OF A S-SELECTIVE TRANSAMINASE FROM BACILLUS MEGATERIUM BOUND WITH R-ALPHA-METHYLBENZYLAMINE BACILLUS MEGATERIUM TRANSFERASE TRANSAMINASE
Ref.: STRUCTURAL BASIS OF SUBSTRATE RANGE AND ENANTIOSELE OF TWO S-SELECTIVE OMEGA- TRANSAMINASES BIOCHEMISTRY V. 55 4422 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5G2Q - PDA C11 H17 N2 O7 P Cc1c(c(c(c....
2 5G09 - 6DF C16 H19 N2 O5 P Cc1c(c(c(c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5G2Q - PDA C11 H17 N2 O7 P Cc1c(c(c(c....
2 5G09 - 6DF C16 H19 N2 O5 P Cc1c(c(c(c....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5G2Q - PDA C11 H17 N2 O7 P Cc1c(c(c(c....
2 5G09 - 6DF C16 H19 N2 O5 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PDA; Similar ligands found: 81
No: Ligand ECFP6 Tc MDL keys Tc
1 PDD 1 1
2 PP3 1 1
3 PDA 1 1
4 TLP 0.753846 0.966102
5 2BK 0.753846 0.966102
6 2BO 0.753846 0.966102
7 PLS 0.727273 0.918033
8 C6P 0.716418 0.918033
9 PPD 0.716418 0.918033
10 ILP 0.710145 0.934426
11 PY5 0.705882 0.890625
12 IN5 0.703125 0.965517
13 7XF 0.685714 0.888889
14 PGU 0.685714 0.888889
15 PDG 0.685714 0.888889
16 KAM 0.68 0.904762
17 QLP 0.676056 0.835821
18 LPI 0.676056 0.878788
19 PY6 0.666667 0.892308
20 ORX 0.657534 0.875
21 N5F 0.657534 0.875
22 PLG 0.651515 0.918033
23 PE1 0.648649 0.875
24 76U 0.643836 0.846154
25 CBA 0.638889 0.888889
26 PL4 0.631579 0.875
27 P1T 0.623188 0.875
28 33P 0.614286 0.885246
29 IK2 0.614286 0.846154
30 5PA 0.605634 0.875
31 EA5 0.592105 0.848485
32 PLA 0.589041 0.920635
33 AQ3 0.585366 0.861538
34 PMG 0.565789 0.892308
35 HEY 0.558442 0.861538
36 PXP 0.555556 0.813559
37 PSZ 0.551282 0.820895
38 3LM 0.551282 0.863636
39 PMP 0.546875 0.881356
40 PMH 0.540541 0.716216
41 GT1 0.538462 0.758065
42 PXG 0.530864 0.887097
43 RW2 0.530864 0.820895
44 PL2 0.525641 0.753623
45 7TS 0.512821 0.723684
46 DN9 0.511905 0.788732
47 CKT 0.506667 0.870968
48 DCS 0.506329 0.733333
49 9YM 0.506173 0.80303
50 F0G 0.473684 0.816667
51 PL8 0.470588 0.753425
52 7B9 0.45977 0.785714
53 PLP 2KZ 0.455696 0.854839
54 KOU 0.448718 0.822581
55 PLR 0.446154 0.775862
56 0JO 0.441558 0.738462
57 FEJ 0.439024 0.806452
58 PPG 0.436782 0.818182
59 P0P 0.434783 0.762712
60 RMT 0.431818 0.787879
61 CAN PLP 0.430233 0.794118
62 1D0 0.428571 0.848485
63 PL6 0.426829 0.75
64 PLP 0.426471 0.762712
65 EVM 0.425 0.809524
66 4LM 0.423077 0.777778
67 Z98 0.421687 0.8
68 EPC 0.421053 0.783333
69 AN7 0.421053 0.766667
70 PZP 0.42029 0.766667
71 LCS 0.416667 0.675325
72 FOO 0.415584 0.803279
73 0LD 0.414141 0.635294
74 PUS 0.413793 0.684932
75 FEV 0.4125 0.765625
76 PFM 0.404762 0.793651
77 GAB PLP 0.404494 0.84127
78 GBC PLP 0.404494 0.84127
79 PLP CYS 0.402439 0.857143
80 EQJ 0.4 0.776119
81 5DK 0.4 0.776119
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5G09; Ligand: 6DF; Similar sites found with APoc: 21
This union binding pocket(no: 1) in the query (biounit: 5g09.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZSY RW2 22.3427
2 4ZSY RW2 22.3427
3 4ZSY RW2 22.3427
4 4ZSY RW2 22.3427
5 5DDW 5B6 29.6066
6 5DDW 5B6 29.6066
7 5DDW 5B6 29.6066
8 4ZM4 PLP 35.123
9 4ZM4 PLP 35.123
10 1MLY ACZ PLP 40.7925
11 4E3Q PMP 42.4947
12 4E3Q PMP 42.4947
13 6S4G PMP 42.5806
14 6S4G PMP 42.5806
15 4UOX PLP 43.469
16 4UOX PLP 43.469
17 4UOX PUT 43.469
18 1SFF IK2 45.5399
19 1SFF IK2 45.5399
20 1SFF IK2 45.5399
21 1SFF IK2 45.5399
Pocket No.: 2; Query (leader) PDB : 5G09; Ligand: 6DF; Similar sites found with APoc: 23
This union binding pocket(no: 2) in the query (biounit: 5g09.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZSY RW2 22.3427
2 4ZSY RW2 22.3427
3 4ZSY RW2 22.3427
4 4ZSY RW2 22.3427
5 5DDW 5B6 29.6066
6 5DDW 5B6 29.6066
7 5DDW 5B6 29.6066
8 4ZM4 PLP 35.123
9 4ZM4 PLP 35.123
10 2OAT PFM 36.2187
11 2OAT PFM 36.2187
12 1MLY ACZ PLP 40.7925
13 4E3Q PMP 42.4947
14 4E3Q PMP 42.4947
15 6S4G PMP 42.5806
16 6S4G PMP 42.5806
17 4UOX PLP 43.469
18 4UOX PLP 43.469
19 4UOX PUT 43.469
20 1SFF IK2 45.5399
21 1SFF IK2 45.5399
22 1SFF IK2 45.5399
23 1SFF IK2 45.5399
Pocket No.: 3; Query (leader) PDB : 5G09; Ligand: 6DF; Similar sites found with APoc: 23
This union binding pocket(no: 3) in the query (biounit: 5g09.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZSY RW2 22.3427
2 4ZSY RW2 22.3427
3 4ZSY RW2 22.3427
4 4ZSY RW2 22.3427
5 5DDW 5B6 29.6066
6 5DDW 5B6 29.6066
7 5DDW 5B6 29.6066
8 4ZM4 PLP 35.123
9 4ZM4 PLP 35.123
10 2OAT PFM 36.2187
11 1MLY ACZ PLP 40.7925
12 4E3Q PMP 42.4947
13 4E3Q PMP 42.4947
14 6S4G PMP 42.5806
15 6S4G PMP 42.5806
16 4UOX PLP 43.469
17 4UOX PLP 43.469
18 4UOX PUT 43.469
19 4UOX PLP PUT 43.469
20 1SFF IK2 45.5399
21 1SFF IK2 45.5399
22 1SFF IK2 45.5399
23 1SFF IK2 45.5399
Pocket No.: 4; Query (leader) PDB : 5G09; Ligand: 6DF; Similar sites found with APoc: 21
This union binding pocket(no: 4) in the query (biounit: 5g09.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZSY RW2 22.3427
2 4ZSY RW2 22.3427
3 4ZSY RW2 22.3427
4 4ZSY RW2 22.3427
5 5DDW 5B6 29.6066
6 5DDW 5B6 29.6066
7 5DDW 5B6 29.6066
8 4ZM4 PLP 35.123
9 4ZM4 PLP 35.123
10 1MLY ACZ PLP 40.7925
11 4E3Q PMP 42.4947
12 4E3Q PMP 42.4947
13 6S4G PMP 42.5806
14 6S4G PMP 42.5806
15 4UOX PLP 43.469
16 4UOX PLP 43.469
17 4UOX PUT 43.469
18 1SFF IK2 45.5399
19 1SFF IK2 45.5399
20 1SFF IK2 45.5399
21 1SFF IK2 45.5399
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