Receptor
PDB id Resolution Class Description Source Keywords
4D9M 2.5 Å EC: 4.3.1.15 CRYSTAL STRUCTURE OF DIAMINOPROPIONATE AMMONIA LYASE FROM ES COLI IN COMPLEX WITH AMINOACRYLATE-PLP AZOMETHINE REACTION I NTERMEDIATE ESCHERICHIA COLI FOLD TYPE II PLP-DEPENDENT ENZYME TRYPTOPHAN SYNTHASE BETA LIKE PLP-DEPENDENT ENZYMES SUPERFAMILY LYASE
Ref.: CRYSTAL STRUCTURE OF ESCHERICHIA COLI DIAMINOPROPIO AMMONIA-LYASE REVEALS MECHANISM OF ENZYME ACTIVATIO CATALYSIS J.BIOL.CHEM. V. 287 20369 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0JO A:401;
B:401;
Valid;
Valid;
none;
none;
submit data
316.204 C11 H13 N2 O7 P Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4D9M 2.5 Å EC: 4.3.1.15 CRYSTAL STRUCTURE OF DIAMINOPROPIONATE AMMONIA LYASE FROM ES COLI IN COMPLEX WITH AMINOACRYLATE-PLP AZOMETHINE REACTION I NTERMEDIATE ESCHERICHIA COLI FOLD TYPE II PLP-DEPENDENT ENZYME TRYPTOPHAN SYNTHASE BETA LIKE PLP-DEPENDENT ENZYMES SUPERFAMILY LYASE
Ref.: CRYSTAL STRUCTURE OF ESCHERICHIA COLI DIAMINOPROPIO AMMONIA-LYASE REVEALS MECHANISM OF ENZYME ACTIVATIO CATALYSIS J.BIOL.CHEM. V. 287 20369 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4D9M - 0JO C11 H13 N2 O7 P Cc1c(c(c(c....
2 4D9N - DSN C3 H7 N O3 C([C@H](C(....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4D9M - 0JO C11 H13 N2 O7 P Cc1c(c(c(c....
2 4D9N - DSN C3 H7 N O3 C([C@H](C(....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4D9M - 0JO C11 H13 N2 O7 P Cc1c(c(c(c....
2 4D9N - DSN C3 H7 N O3 C([C@H](C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0JO; Similar ligands found: 55
No: Ligand ECFP6 Tc MDL keys Tc
1 0JO 1 1
2 4LM 0.71875 0.946429
3 KOU 0.647059 0.864407
4 Z98 0.625 0.809524
5 EXT 0.61194 0.830508
6 PL6 0.611111 0.87931
7 EPC 0.597015 0.857143
8 PZP 0.590164 0.807018
9 FOO 0.588235 0.877193
10 LLP 0.584416 0.796875
11 PLP 0.57377 0.803571
12 AN7 0.573529 0.839286
13 P3D 0.569444 0.738462
14 PUS 0.564103 0.73913
15 PL5 0.564103 0.836066
16 MPM 0.56338 0.844828
17 5DK 0.5625 0.784615
18 HCP 0.547945 0.803279
19 P89 0.530864 0.720588
20 6DF 0.526316 0.810345
21 PLP ABU 0.519481 0.770492
22 PLP PUT 0.513158 0.721311
23 PFM 0.5 0.864407
24 PLT 0.5 0.822581
25 O1G 0.465116 0.753846
26 PMP 0.462687 0.714286
27 P1T 0.460526 0.828125
28 PLR 0.453125 0.754386
29 PLP PHE 0.448276 0.79661
30 C6P 0.443038 0.753846
31 PP3 0.441558 0.738462
32 PDD 0.441558 0.738462
33 PDA 0.441558 0.738462
34 2BK 0.43038 0.738462
35 2BO 0.43038 0.738462
36 PLS 0.43038 0.753846
37 TLP 0.43038 0.738462
38 PLP PVH 0.428571 0.720588
39 PXP 0.426471 0.704918
40 PPD 0.425 0.753846
41 PLG 0.421053 0.727273
42 P0P 0.42029 0.77193
43 PY5 0.419753 0.710145
44 PY6 0.416667 0.690141
45 GT1 0.414286 0.68254
46 PLP 142 0.410526 0.720588
47 PGU 0.409639 0.731343
48 7XF 0.409639 0.731343
49 ILP 0.409639 0.716418
50 PDG 0.409639 0.731343
51 PPG 0.409091 0.8
52 QLP 0.404762 0.690141
53 IN5 0.402597 0.707692
54 IK2 0.4 0.720588
55 HEY 0.4 0.761194
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4D9M; Ligand: 0JO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4d9m.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4D9M; Ligand: 0JO; Similar sites found: 25
This union binding pocket(no: 2) in the query (biounit: 4d9m.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4AG5 ADP 0.01326 0.42256 2.04082
2 3MBI HSX 0.007959 0.42647 2.78746
3 1N4W FAD 0.004926 0.4272 4.27136
4 2R4J 13P 0.01989 0.40629 5.02513
5 2R4J FAD 0.01989 0.40629 5.02513
6 1GPE FAD 0.01612 0.40583 6.28141
7 3PC3 P1T 0.00000001963 0.61624 6.78392
8 4JBL MET 0.0001263 0.52407 6.78466
9 3ZEI AWH 0.000002188 0.55364 7.09677
10 1GXU 2HP 0.008556 0.40867 7.69231
11 1D6S MET PLP 0.000001473 0.54975 7.76398
12 1D6S PLP MET 0.000001602 0.54575 7.76398
13 4B2Z P5S 0.01355 0.40189 7.78894
14 3VC3 C6P 0.0000003529 0.58039 7.84884
15 5IXJ THR 0.000005122 0.53989 9.59596
16 1G8S MET 0.02135 0.41051 10
17 5I7A 68Q 0.00008782 0.46342 11.0429
18 4D9C PMP 0.00008046 0.47995 11.6959
19 1CX9 NHP 0.004716 0.47789 14.3577
20 2CBZ ATP 0.01029 0.43078 15.1899
21 1V7C HEY 0.00000001512 0.64275 15.9544
22 5B3A 0JO 0.0000002409 0.57957 17.9949
23 4QYS PLP SEP 0.000001782 0.54872 21.1055
24 4QYS PLR 0.0004099 0.41363 21.1055
25 1J0D 5PA 0.00008509 0.48273 35.1906
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