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: 64
No: Ligand ECFP6 Tc MDL keys Tc
1 0JO 1 1
2 4LM 0.71875 0.946429
3 FEV 0.69697 0.929825
4 F0G 0.656716 0.892857
5 KOU 0.647059 0.864407
6 EVM 0.637681 0.85
7 Z98 0.625 0.809524
8 EXT 0.61194 0.830508
9 PL6 0.611111 0.87931
10 FEJ 0.60274 0.847458
11 EPC 0.597015 0.857143
12 PZP 0.590164 0.807018
13 FOO 0.588235 0.877193
14 LLP 0.584416 0.796875
15 PLP 0.57377 0.803571
16 AN7 0.573529 0.839286
17 P3D 0.569444 0.738462
18 PUS 0.564103 0.73913
19 PL5 0.564103 0.836066
20 P70 0.564103 0.894737
21 MPM 0.56338 0.844828
22 EQJ 0.5625 0.784615
23 5DK 0.5625 0.784615
24 HCP 0.547945 0.803279
25 P89 0.530864 0.720588
26 6DF 0.526316 0.810345
27 PLP 999 0.5 0.79661
28 PLT 0.5 0.822581
29 PFM 0.5 0.864407
30 PLP PUT 0.493506 0.707692
31 O1G 0.465116 0.753846
32 PMP 0.462687 0.714286
33 P1T 0.460526 0.828125
34 MET PLP 0.457831 0.734375
35 PLR 0.453125 0.754386
36 PLP PHE 0.448276 0.79661
37 C6P 0.443038 0.753846
38 PDA 0.441558 0.738462
39 PDD 0.441558 0.738462
40 PP3 0.441558 0.738462
41 TLP 0.43038 0.738462
42 2BK 0.43038 0.738462
43 2BO 0.43038 0.738462
44 PLS 0.43038 0.753846
45 PLP PVH 0.428571 0.720588
46 9TD 0.427083 0.728571
47 PXP 0.426471 0.704918
48 PPD 0.425 0.753846
49 PLG 0.421053 0.727273
50 P0P 0.42029 0.77193
51 PY5 0.419753 0.710145
52 PY6 0.416667 0.690141
53 GT1 0.414286 0.68254
54 PLP 142 0.410526 0.720588
55 7XF 0.409639 0.731343
56 PDG 0.409639 0.731343
57 PGU 0.409639 0.731343
58 ILP 0.409639 0.716418
59 PPG 0.409091 0.8
60 LPI 0.404762 0.680556
61 QLP 0.404762 0.690141
62 IN5 0.402597 0.707692
63 IK2 0.4 0.720588
64 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 with APoc: 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 Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4D9M; Ligand: 0JO; 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: 4d9m.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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