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: 79
No: Ligand ECFP6 Tc MDL keys Tc
1 PDA 1 1
2 PDD 1 1
3 PP3 1 1
4 2BK 0.753846 0.966102
5 2BO 0.753846 0.966102
6 TLP 0.753846 0.966102
7 PLS 0.727273 0.918033
8 PPD 0.716418 0.918033
9 C6P 0.716418 0.918033
10 ILP 0.710145 0.934426
11 PY5 0.705882 0.890625
12 IN5 0.703125 0.965517
13 PGU 0.685714 0.888889
14 PDG 0.685714 0.888889
15 7XF 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 IK2 0.614286 0.846154
29 33P 0.614286 0.885246
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 DCS 0.506329 0.733333
47 9YM 0.506173 0.80303
48 F0G 0.473684 0.816667
49 PL8 0.470588 0.753425
50 7B9 0.45977 0.785714
51 PLP 2KZ 0.455696 0.854839
52 KOU 0.448718 0.822581
53 PLR 0.446154 0.775862
54 0JO 0.441558 0.738462
55 FEJ 0.439024 0.806452
56 PPG 0.436782 0.818182
57 P0P 0.434783 0.762712
58 RMT 0.431818 0.787879
59 CAN PLP 0.430233 0.794118
60 1D0 0.428571 0.848485
61 PL6 0.426829 0.75
62 PLP 0.426471 0.762712
63 EVM 0.425 0.809524
64 4LM 0.423077 0.777778
65 Z98 0.421687 0.8
66 EPC 0.421053 0.783333
67 AN7 0.421053 0.766667
68 PZP 0.42029 0.766667
69 LCS 0.416667 0.675325
70 FOO 0.415584 0.803279
71 0LD 0.414141 0.635294
72 PUS 0.413793 0.684932
73 FEV 0.4125 0.765625
74 PFM 0.404762 0.793651
75 GBC PLP 0.404494 0.84127
76 GAB PLP 0.404494 0.84127
77 PLP CYS 0.402439 0.857143
78 EQJ 0.4 0.776119
79 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: 4
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 5U3F 7TS 21.2996
3 5K3W PLP 35.7401
4 4UUG PXG 49.0975
Pocket No.: 2; Query (leader) PDB : 3DAA; Ligand: PDD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3daa.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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