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+]
View in 3D viewer
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 2 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 2 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 2 families.
1 5G4J - EXT C10 H16 N2 O9 P2 Cc1c(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: EXT; Similar ligands found: 45
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 4LM 0.588235 0.813559
8 PZP 0.583333 0.836364
9 MPM 0.57971 0.875
10 F0G 0.57971 0.857143
11 PLP ABU 0.575342 0.859649
12 KOU 0.571429 0.862069
13 FEV 0.571429 0.8
14 PLP PUT 0.569444 0.816667
15 HCP 0.56338 0.862069
16 EVM 0.56338 0.847458
17 P89 0.544304 0.825397
18 6DF 0.540541 0.839286
19 PL6 0.540541 0.910714
20 GLY PLP 0.535211 0.839286
21 FEJ 0.533333 0.813559
22 P70 0.5 0.859649
23 AN7 0.5 0.77193
24 PUS 0.5 0.735294
25 PL5 0.5 0.833333
26 FOO 0.492958 0.810345
27 LUK 0.481928 0.714286
28 LUH 0.481928 0.714286
29 EQJ 0.481928 0.83871
30 5DK 0.481928 0.83871
31 O1G 0.47619 0.806452
32 PLR 0.467742 0.781818
33 Q0P 0.454545 0.819672
34 SER PLP 0.448718 0.810345
35 PLT 0.444444 0.790323
36 PLP ALO 0.443038 0.793103
37 PXP 0.439394 0.758621
38 PFM 0.4375 0.770492
39 PLP 999 0.4375 0.793103
40 PMP 0.432836 0.79661
41 P0P 0.432836 0.767857
42 L7N 0.432099 0.675676
43 GT1 0.426471 0.733333
44 PLP PHE 0.409091 0.793103
45 PLP MYB 0.4 0.720588
Similar Ligands (3D)
Ligand no: 1; Ligand: EXT; Similar ligands found: 5
No: Ligand Similarity coefficient
1 33P 0.8894
2 PLP AOA 0.8830
3 PXG 0.8740
4 PLG 0.8717
5 P1T 0.8586
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5G4J; Ligand: EXT; Similar sites found with APoc: 16
This union binding pocket(no: 1) in the query (biounit: 5g4j.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4E3Q PMP 42.1525
2 4E3Q PMP 42.1525
3 4E3Q PMP 42.1525
4 4E3Q PMP 42.1525
5 4E3Q PMP 42.1525
6 4E3Q PMP 42.1525
7 4E3Q PMP 42.1525
8 4E3Q PMP 42.1525
9 4UOX PLP 44.3946
10 4UOX PLP 44.3946
11 4ADC PLP 46.5517
12 4ADC PLP 46.5517
13 6S54 PLP 46.861
14 6S54 PLP 46.861
15 6S54 PLP 46.861
16 6S54 PLP 46.861
Pocket No.: 2; Query (leader) PDB : 5G4J; Ligand: EXT; Similar sites found with APoc: 16
This union binding pocket(no: 2) in the query (biounit: 5g4j.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4E3Q PMP 42.1525
2 4E3Q PMP 42.1525
3 4E3Q PMP 42.1525
4 4E3Q PMP 42.1525
5 4E3Q PMP 42.1525
6 4E3Q PMP 42.1525
7 4E3Q PMP 42.1525
8 4E3Q PMP 42.1525
9 4UOX PLP 44.3946
10 4UOX PLP 44.3946
11 4ADC PLP 46.5517
12 4ADC PLP 46.5517
13 6S54 PLP 46.861
14 6S54 PLP 46.861
15 6S54 PLP 46.861
16 6S54 PLP 46.861
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