Receptor
PDB id Resolution Class Description Source Keywords
5G4J 1.87 Å EC: 4.2.3.2 PHOSPHOLYASE A1RDF1 FROM ARTHROBACTER IN COMPLEX WITH PHOSPHOETHANOLAMINE ARTHROBACTER AURESCENS LYASE PYRIDOXAL PHOSPHATE TRANSAMINASE PHOSPHOLYASE
Ref.: STRUCTURAL BASIS FOR PHOSPHOLYASE ACTIVITY OF A CLA TRANSAMINASE HOMOLOGUE. CHEMBIOCHEM V. 17 2308 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EXT A:1441;
B:1440;
Valid;
Valid;
none;
none;
submit data
370.19 C10 H16 N2 O9 P2 Cc1c(...
NA A:1443;
A:1442;
B:1441;
Part of Protein;
Invalid;
Invalid;
none;
none;
none;
submit data
22.99 Na [Na+]
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5G4J 1.87 Å EC: 4.2.3.2 PHOSPHOLYASE A1RDF1 FROM ARTHROBACTER IN COMPLEX WITH PHOSPHOETHANOLAMINE ARTHROBACTER AURESCENS LYASE PYRIDOXAL PHOSPHATE TRANSAMINASE PHOSPHOLYASE
Ref.: STRUCTURAL BASIS FOR PHOSPHOLYASE ACTIVITY OF A CLA TRANSAMINASE HOMOLOGUE. CHEMBIOCHEM V. 17 2308 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5G4J - EXT C10 H16 N2 O9 P2 Cc1c(c(c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5G4J - EXT C10 H16 N2 O9 P2 Cc1c(c(c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5G4J - EXT C10 H16 N2 O9 P2 Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EXT; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 EXT 1 1
2 P3D 0.681818 0.85
3 Z98 0.642857 0.866667
4 PLP 0.62069 0.8
5 EPC 0.615385 0.888889
6 0JO 0.61194 0.830508
7 LLP 0.6 0.852459
8 4LM 0.588235 0.813559
9 PZP 0.583333 0.836364
10 MPM 0.57971 0.875
11 PLP ABU 0.575342 0.859649
12 KOU 0.571429 0.862069
13 PLP PUT 0.569444 0.839286
14 HCP 0.56338 0.862069
15 P89 0.544304 0.825397
16 6DF 0.540541 0.839286
17 PL6 0.540541 0.910714
18 PL5 0.5 0.833333
19 PUS 0.5 0.735294
20 AN7 0.5 0.77193
21 FOO 0.492958 0.810345
22 5DK 0.481928 0.83871
23 O1G 0.47619 0.806452
24 PLR 0.467742 0.781818
25 PLT 0.444444 0.790323
26 PXP 0.439394 0.758621
27 PFM 0.4375 0.770492
28 P0P 0.432836 0.767857
29 PMP 0.432836 0.79661
30 GT1 0.426471 0.733333
31 PLP PHE 0.409091 0.793103
32 PLP MYB 0.4 0.720588
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5G4J; Ligand: EXT; Similar sites found: 55
This union binding pocket(no: 1) in the query (biounit: 5g4j.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5W70 9YM 0.0004584 0.4532 1.1236
2 2FYF PLP 0.001241 0.4021 1.25628
3 5W71 9YM 0.002279 0.44981 1.81818
4 5W71 PLP 0.0006477 0.4386 1.81818
5 1LW4 TLP 0.002928 0.41643 2.01729
6 1LW4 PLP 0.001719 0.41535 2.01729
7 3FRK TQP 0.003708 0.42959 2.14477
8 1DFO PLG 0.0007535 0.44388 2.15827
9 5GVL PLG 0.004793 0.43368 2.26244
10 5GVL GI8 0.004793 0.43368 2.26244
11 4K2M O1G 0.001563 0.41031 2.48307
12 2OGA PGU 0.004176 0.41357 2.50627
13 3WGC PLG 0.002246 0.41076 2.6393
14 4PIO SAH 0.0172 0.40263 2.78638
15 3B8X G4M 0.001583 0.45029 2.82051
16 2WK9 PLG 0.001633 0.4471 2.82776
17 2WK9 PLP 0.002107 0.43936 2.82776
18 2FNU PMP UD1 0.009117 0.41754 3.2
19 4AZJ SEP PLP 0.003891 0.41491 3.33333
20 4P8K 38C 0.03359 0.40203 3.36323
21 4P8K FAD 0.03359 0.40203 3.36323
22 1MDZ DCS 0.012 0.40872 4.3257
23 1MDZ PLP 0.01367 0.40498 4.3257
24 1FC4 AKB PLP 0.002068 0.42493 4.48878
25 1M32 PLP 0.01871 0.40811 4.64481
26 2H3H BGC 0.01843 0.40303 5.7508
27 4NV0 MG7 0.02058 0.40487 5.95611
28 4WXG 2BO 0.001018 0.44397 6.30841
29 3NUB UD0 0.003377 0.43143 6.68524
30 5K8B PDG 0.0007502 0.44793 7.19603
31 4Q4K FMN 0.01178 0.40016 11.7647
32 5U23 TQP 0.004652 0.42511 16.2304
33 3DR4 G4M 0.008176 0.42183 16.8798
34 5DDW 5B6 0.000000002971 0.68066 29.3722
35 4AOA IK2 0.00000002951 0.60934 31.6143
36 4ZM4 PLP 0.00000002071 0.60401 33.1839
37 4ZM4 P3B 0.0000005007 0.58109 33.1839
38 3FQ8 PMP 0.000000657 0.58409 35.8314
39 4ZSY RW2 0.00000001494 0.65019 38.3408
40 2CJH AKG 0.01185 0.41329 39.6437
41 4B98 PXG 0.000002039 0.54398 39.6861
42 5KGS 6SR 0.0000001379 0.65186 40.4814
43 4UHO PLP 0.00001591 0.4614 40.8072
44 4E3Q PMP 0.00000000555 0.59891 42.1525
45 1MLY ACZ PLP 0.0000006871 0.57222 43.722
46 5WYF ILP 0.0000001103 0.60946 43.9462
47 4BA5 PXG 0.000003657 0.52406 44.1704
48 4UOX PLP 0.000000002532 0.62511 44.3946
49 4UOX PUT 0.0000000265 0.6114 44.3946
50 4UOX PLP PUT 0.00000008865 0.60053 44.3946
51 4ADC PLP 0.000000002401 0.69112 46.5517
52 5G09 6DF 0.000000005518 0.66564 47.3094
53 2OAT PFM 0.0000003358 0.57607 47.3804
54 1SFF IK2 0.000000007555 0.6403 48.1221
55 1ZC9 PMP 0.000002205 0.55049 49.8845
Pocket No.: 2; Query (leader) PDB : 5G4J; Ligand: EXT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5g4j.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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