Receptor
PDB id Resolution Class Description Source Keywords
3DAA 1.9 Å EC: 2.6.1.21 CRYSTALLOGRAPHIC STRUCTURE OF D-AMINO ACID AMINOTRANSFERASE INACTIVATED BY PYRIDOXYL-D-ALANINE BACILLUS SP. AMINOTRANSFERASE PYRIDOXAL PHOSPHATE TRANSAMINASE
Ref.: CRYSTALLOGRAPHIC STUDY OF STEPS ALONG THE REACTION OF D-AMINO ACID AMINOTRANSFERASE. BIOCHEMISTRY V. 37 4958 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PDD A:285;
B:285;
Valid;
Valid;
none;
none;
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320.236 C11 H17 N2 O7 P Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DAA 1.9 Å EC: 2.6.1.21 CRYSTALLOGRAPHIC STRUCTURE OF D-AMINO ACID AMINOTRANSFERASE INACTIVATED BY PYRIDOXYL-D-ALANINE BACILLUS SP. AMINOTRANSFERASE PYRIDOXAL PHOSPHATE TRANSAMINASE
Ref.: CRYSTALLOGRAPHIC STUDY OF STEPS ALONG THE REACTION OF D-AMINO ACID AMINOTRANSFERASE. BIOCHEMISTRY V. 37 4958 1998
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3LQS - PSZ C13 H15 N2 O7 P S Cc1c(c(c(c....
2 1DAA - PLP C8 H10 N O6 P Cc1c(c(c(c....
3 3DAA - PDD C11 H17 N2 O7 P Cc1c(c(c(c....
4 1A0G - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
5 2DAA - DCS C11 H16 N3 O7 P Cc1c(c(c(c....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3LQS - PSZ C13 H15 N2 O7 P S Cc1c(c(c(c....
2 1DAA - PLP C8 H10 N O6 P Cc1c(c(c(c....
3 3DAA - PDD C11 H17 N2 O7 P Cc1c(c(c(c....
4 1A0G - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
5 2DAA - DCS C11 H16 N3 O7 P Cc1c(c(c(c....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3LQS - PSZ C13 H15 N2 O7 P S Cc1c(c(c(c....
2 1DAA - PLP C8 H10 N O6 P Cc1c(c(c(c....
3 3DAA - PDD C11 H17 N2 O7 P Cc1c(c(c(c....
4 1A0G - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
5 2DAA - DCS C11 H16 N3 O7 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PDD; 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 : 3DAA; Ligand: PDD; Similar sites found with APoc: 7
This union binding pocket(no: 1) in the query (biounit: 3daa.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 3UZO PLP 17.3285
2 3UZO PLP 17.3285
3 5U3F 7TS 21.2996
4 5U3F 7TS 21.2996
5 5K3W PLP 35.7401
6 5K3W PLP 35.7401
7 4UUG PXG 49.0975
Pocket No.: 2; Query (leader) PDB : 3DAA; Ligand: PDD; Similar sites found with APoc: 6
This union binding pocket(no: 2) in the query (biounit: 3daa.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 3UZO PLP 17.3285
2 3UZO PLP 17.3285
3 5U3F 7TS 21.2996
4 5K3W PLP 35.7401
5 5K3W PLP 35.7401
6 4UUG PXG 49.0975
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