Receptor
PDB id Resolution Class Description Source Keywords
2W7M 1.86 Å EC: 2.1.2.1 CRYSTAL STRUCTURE OF Y61ABSSHMT OBTAINED IN THE PRESENCE OF AND 5-FORMYL TETRAHYDROFOLATE GEOBACILLUS STEAROTHERMOPHILUS TRANSFERASE 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
GLY PLP A:601;
Valid;
none;
submit data
301.171 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: GLY PLP; Similar ligands found: 41
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY PLP 1 1
2 PLP ABU 0.710145 0.943396
3 PLP PUT 0.633803 0.766667
4 SER PLP 0.633803 0.888889
5 PLP ALO 0.625 0.90566
6 PLP 999 0.616438 0.90566
7 PLP PHE 0.548781 0.90566
8 P89 0.54321 0.75
9 0JO 0.541667 0.779661
10 EXT 0.535211 0.839286
11 4LM 0.520548 0.793103
12 Z98 0.512821 0.786885
13 PLP PVH 0.505747 0.75
14 PLP 142 0.5 0.75
15 PLP MYB 0.5 0.676471
16 P3D 0.5 0.714286
17 EVM 0.5 0.827586
18 F0G 0.493333 0.836364
19 KOU 0.486842 0.810345
20 FEV 0.486842 0.779661
21 EPC 0.479452 0.8
22 FEJ 0.475 0.793103
23 PL6 0.4625 0.824561
24 HCP 0.461538 0.721311
25 MPM 0.454545 0.758621
26 PLP 0.447761 0.745455
27 PL5 0.447059 0.754098
28 ASP PLP 0.444444 0.888889
29 6DF 0.444444 0.754386
30 PZP 0.441176 0.75
31 FOO 0.434211 0.789474
32 5DK 0.431818 0.761905
33 EQJ 0.431818 0.761905
34 PUS 0.430233 0.691176
35 P70 0.430233 0.807018
36 PLP PMP 0.428571 0.758621
37 AN7 0.421053 0.75
38 PLP 2KZ 0.419753 0.783333
39 PLP SER 0.417722 0.783333
40 PLP 0A0 0.409639 0.75
41 PLP CYS 0.402439 0.758065
Similar Ligands (3D)
Ligand no: 1; Ligand: GLY PLP; Similar ligands found: 41
No: Ligand Similarity coefficient
1 PLP GLY 0.9999
2 PLG 0.9979
3 P1T 0.9845
4 PLI 0.9731
5 PDA 0.9665
6 PP3 0.9520
7 IK2 0.9477
8 PLP AOA 0.9477
9 PLS 0.9429
10 LCS 0.9332
11 IN5 0.9290
12 C6P 0.9264
13 5PA 0.9222
14 DCS 0.9191
15 CKT 0.9120
16 PDD 0.9102
17 OJQ 0.8915
18 HM5 0.8868
19 PMH 0.8825
20 7TS 0.8817
21 2BK 0.8798
22 2BO 0.8781
23 PY5 0.8770
24 7XF 0.8752
25 07U 0.8723
26 LF5 0.8703
27 7CU 0.8689
28 3LM 0.8681
29 L7N 0.8671
30 MZC 0.8664
31 ILP 0.8638
32 AKB PLP 0.8621
33 LJW 0.8620
34 MET PLP 0.8617
35 PLP MET 0.8607
36 PY6 0.8604
37 2T4 0.8599
38 TLP 0.8593
39 8HH 0.8579
40 PM9 0.8578
41 6SC 0.8539
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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