Receptor
PDB id Resolution Class Description Source Keywords
2W7L 2.41 Å EC: 2.1.2.1 CRYSTAL STRUCTURE OF Y61ABSSHMT L-ALLO-THREONINE EXTERNAL AL GEOBACILLUS STEAROTHERMOPHILUS TRANSFERASE ONE-CARBON METABOLISM PLP-DEPENDENT ENZYMES
Ref.: IMPORTANCE OF TYROSINE RESIDUES OF BACILLUS STEAROTHERMOPHILUS SERINE HYDROXYMETHYLTRANSFERASE COFACTOR BINDING AND L-ALLO-THR CLEAVAGE. FEBS J. V. 275 4606 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLP ALO A:501;
 Valid;
 none;
 submit data
345.224 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VMQ 1.67 Å EC: 2.1.2.1 STRUCTURE OF N341ABSSHMT CRYSTALLIZED IN THE PRESENCE OF L- ALLO-THR BACILLUS STEAROTHERMOPHILUS PLP-DEPENDENT ENZYMES SERINE HYDROXYMETHYLTRANSFERASE SHMT N341A TRANSFERASE FOLATE BINDING PYRIDOXAL PHOSPHATE ONE-CARBON METABOLISM
Ref.: STRUCTURAL AND FUNCTIONAL STUDIES OF BACILLUS STEAROTHERMOPHILUS SERINE HYDROXYMETHYLTRANSFERASE: THE ROLE OF ASN(341), TYR(60) AND PHE(351) IN TETRAHYDROFOLATE BINDING. BIOCHEM.J. V. 418 635 2009
Members (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2VMO - GLY PLP n/a n/a
2 2VMQ - GLY PLP n/a n/a
3 2W7F - SER PLP n/a n/a
4 2W7L - PLP ALO n/a n/a
5 1KKP - PLP SER n/a n/a
6 2VMP - SER PLP n/a n/a
7 1YJY - PLP SER n/a n/a
8 2VMW - SER PLP n/a n/a
9 2W7K - SER PLP n/a n/a
10 1KL1 - PLP GLY n/a n/a
11 2W7J - GLY PLP n/a n/a
12 2W7M - GLY PLP n/a n/a
13 2VMX - PLP ALO n/a n/a
14 1YJZ - PLP C8 H10 N O6 P Cc1c(c(c(c....
15 2VMT - SER PLP n/a n/a
16 2W7G - PLP ALO n/a n/a
17 1YJS - PLP GLY n/a n/a
70% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2VMO - GLY PLP n/a n/a
2 2VMQ - GLY PLP n/a n/a
3 2W7F - SER PLP n/a n/a
4 2W7L - PLP ALO n/a n/a
5 1KKP - PLP SER n/a n/a
6 2VMP - SER PLP n/a n/a
7 1YJY - PLP SER n/a n/a
8 2VMW - SER PLP n/a n/a
9 2W7K - SER PLP n/a n/a
10 1KL1 - PLP GLY n/a n/a
11 2W7J - GLY PLP n/a n/a
12 2W7M - GLY PLP n/a n/a
13 2VMX - PLP ALO n/a n/a
14 1YJZ - PLP C8 H10 N O6 P Cc1c(c(c(c....
15 2VMT - SER PLP n/a n/a
16 2W7G - PLP ALO n/a n/a
17 1YJS - PLP GLY n/a n/a
18 4WXG - 2BO C12 H19 N2 O8 P Cc1c(c(c(c....
19 4WXB - CIT C6 H8 O7 C(C(=O)O)C....
20 4WXF - PLG C10 H15 N2 O7 P Cc1c(c(c(c....
21 6YMF - PLS C11 H17 N2 O8 P Cc1c(c(c(c....
22 1DFO - PLG C10 H15 N2 O7 P Cc1c(c(c(c....
50% Homology Family (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2VMO - GLY PLP n/a n/a
2 2VMQ - GLY PLP n/a n/a
3 2W7F - SER PLP n/a n/a
4 2W7L - PLP ALO n/a n/a
5 1KKP - PLP SER n/a n/a
6 2VMP - SER PLP n/a n/a
7 1YJY - PLP SER n/a n/a
8 2VMW - SER PLP n/a n/a
9 2W7K - SER PLP n/a n/a
10 1KL1 - PLP GLY n/a n/a
11 2W7J - GLY PLP n/a n/a
12 2W7M - GLY PLP n/a n/a
13 2VMX - PLP ALO n/a n/a
14 1YJZ - PLP C8 H10 N O6 P Cc1c(c(c(c....
15 2VMT - SER PLP n/a n/a
16 2W7G - PLP ALO n/a n/a
17 1YJS - PLP GLY n/a n/a
18 6UXI - PLG C10 H15 N2 O7 P Cc1c(c(c(c....
19 6UXL - PLG C10 H15 N2 O7 P Cc1c(c(c(c....
20 6UXJ Kd = 17 uM FFO C20 H23 N7 O7 c1cc(ccc1C....
21 4WXG - 2BO C12 H19 N2 O8 P Cc1c(c(c(c....
22 4WXB - CIT C6 H8 O7 C(C(=O)O)C....
23 4WXF - PLG C10 H15 N2 O7 P Cc1c(c(c(c....
24 6SMW Ki = 119.4 uM LYA C20 H21 N5 O6 c1cc(ccc1C....
25 6SMR Ki = 179.3 uM MTX C20 H22 N8 O5 CN(Cc1cnc2....
26 6YMF - PLS C11 H17 N2 O8 P Cc1c(c(c(c....
27 6QVL - 4DW C20 H19 N5 O6 c1cc(ccc1C....
28 6QVG - GLY C2 H5 N O2 C(C(=O)O)N
29 5V7I - GLY C2 H5 N O2 C(C(=O)O)N
30 5GVN ic50 = 90 nM G6F C26 H25 F N4 O3 Cc1c2c(n[n....
31 5XMV - 8AU C24 H20 Cl F3 N4 O Cc1c2c(n[n....
32 5YFZ - 8UO C24 H28 F N5 O3 Cc1c2c(n[n....
33 5XMQ - 8A6 C32 H30 F3 N5 O3 S Cc1c2c(n[n....
34 4TN4 - 33G C25 H20 F N5 O Cc1c2c(n[n....
35 5GVL ic50 = 42 nM GI8 C24 H23 N5 O2 S Cc1c2c(n[n....
36 5XMP - 8A3 C27 H25 F6 N5 O3 S Cc1c2c(n[n....
37 5GVM ic50 = 186 nM G57 C26 H23 F3 N4 O3 Cc1c2c(n[n....
38 5XMS - 8B3 C24 H20 F4 N4 O Cc1c2c(n[n....
39 5YG4 - 8UF C25 H28 F N5 O3 Cc1c2c(n[n....
40 5XMU - 8A0 C25 H23 F3 N4 O Cc1ccccc1c....
41 5YG3 - 8UC C23 H20 F N5 O Cc1c2c(n[n....
42 5GVK ic50 = 99 nM G45 C24 H24 N6 O3 S2 Cc1c2c(n[n....
43 5YG2 - N05 C25 H30 F N5 O3 Cc1c2c(n[n....
44 5GVP ic50 = 165 nM GCF C27 H25 F3 N4 O3 Cc1c2c(n[n....
45 1DFO - PLG C10 H15 N2 O7 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PLP ALO; Similar ligands found: 47
No: Ligand ECFP6 Tc MDL keys Tc
1 PLP ALO 1 1
2 PLP 999 0.808824 0.961538
3 SER PLP 0.704225 0.943396
4 GLY PLP 0.625 0.90566
5 PLP PHE 0.609756 0.888889
6 FEJ 0.597403 0.875
7 PLP ABU 0.576923 0.857143
8 PLP PVH 0.563218 0.793651
9 F0G 0.56 0.888889
10 EPC 0.547945 0.851852
11 PLP MYB 0.54023 0.716418
12 KOU 0.532468 0.859649
13 PLP PUT 0.531646 0.754098
14 6DF 0.506173 0.803571
15 PL6 0.506173 0.810345
16 PLP 142 0.489362 0.793651
17 PL5 0.488372 0.770492
18 P70 0.488372 0.824561
19 4LM 0.487179 0.842105
20 0JO 0.487179 0.79661
21 5DK 0.47191 0.75
22 EQJ 0.47191 0.75
23 PUS 0.471264 0.731343
24 EVM 0.469136 0.877193
25 PLP 2TL 0.457831 0.816667
26 FEV 0.45679 0.827586
27 ASP PLP 0.452381 0.807018
28 Z98 0.447059 0.774194
29 Q0P 0.446809 0.758065
30 PLP SER 0.444444 0.8
31 EXT 0.443038 0.793103
32 PLP BH2 0.435294 0.786885
33 HCP 0.433735 0.737705
34 PLP CYS 0.428571 0.746032
35 MPM 0.426829 0.807018
36 PLT 0.42268 0.758065
37 SEP PLP 0.418605 0.786885
38 P3D 0.416667 0.703125
39 PLP 0.416667 0.796296
40 LEU PLP 0.413793 0.761905
41 P89 0.413043 0.738462
42 PLP 2KZ 0.411765 0.770492
43 PZP 0.410959 0.767857
44 FOO 0.407407 0.807018
45 GLU PLP 0.404494 0.734375
46 PLP 2ML 0.404494 0.738462
47 PLP PMP 0.4 0.745763
Similar Ligands (3D)
Ligand no: 1; Ligand: PLP ALO; Similar ligands found: 38
No: Ligand Similarity coefficient
1 TLP 0.9728
2 PLS 0.9650
3 2BK 0.9626
4 2BO 0.9391
5 5PA 0.9312
6 PDA 0.9283
7 PP3 0.9283
8 PLI 0.9283
9 IN5 0.9258
10 C6P 0.9254
11 PLG 0.9237
12 P1T 0.9233
13 CKT 0.9176
14 7XF 0.9104
15 PDD 0.9080
16 PPD 0.9053
17 ILP 0.9034
18 DCS 0.9025
19 PLP 0A0 0.9019
20 PLA 0.8973
21 PY5 0.8939
22 PLP GLY 0.8928
23 PLP MET 0.8917
24 MET PLP 0.8915
25 LCS 0.8914
26 L7N 0.8882
27 PLP AOA 0.8861
28 3QP 0.8851
29 CBA 0.8841
30 KET 0.8811
31 7TS 0.8727
32 PY6 0.8696
33 PM9 0.8691
34 AN7 0.8649
35 8JF 0.8635
36 PMH 0.8606
37 OJQ 0.8606
38 3LM 0.8555
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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