Receptor
PDB id Resolution Class Description Source Keywords
2W7K 2.42 Å EC: 2.1.2.1 CRYSTAL STRUCTURE OF Y61ABSSHMT L-SERINE EXTERNAL ALDIMINE 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
SER PLP A:601;
Valid;
none;
submit data
331.197 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: SER PLP; Similar ligands found: 46
No: Ligand ECFP6 Tc MDL keys Tc
1 SER PLP 1 1
2 PLP ALO 0.704225 0.943396
3 PLP PHE 0.701299 0.907407
4 PLP 999 0.694444 0.943396
5 KOU 0.671429 0.910714
6 PLP PVH 0.646341 0.78125
7 GLY PLP 0.633803 0.888889
8 PLP ABU 0.584416 0.875
9 PL6 0.571429 0.827586
10 PLP MYB 0.564706 0.731343
11 PL5 0.548781 0.786885
12 F0G 0.546667 0.839286
13 PLP PUT 0.538462 0.8
14 EPC 0.534247 0.803571
15 PUS 0.53012 0.746269
16 P70 0.53012 0.842105
17 EQJ 0.529412 0.793651
18 5DK 0.529412 0.793651
19 6DF 0.5125 0.758621
20 FEJ 0.506173 0.827586
21 PLP 142 0.494624 0.78125
22 EVM 0.493671 0.928571
23 4LM 0.493506 0.79661
24 0JO 0.493506 0.813559
25 Q0P 0.483516 0.774194
26 PLT 0.473118 0.774194
27 FEV 0.4625 0.783333
28 Z98 0.452381 0.790323
29 EXT 0.448718 0.810345
30 ASP PLP 0.440476 0.824561
31 HCP 0.439024 0.754098
32 MPM 0.432099 0.793103
33 PLP SER 0.432099 0.786885
34 PLP 0.422535 0.781818
35 P3D 0.421687 0.746032
36 P89 0.417582 0.701493
37 PLP CYS 0.416667 0.790323
38 PZP 0.416667 0.754386
39 FOO 0.4125 0.793103
40 PLP 2TL 0.411765 0.803279
41 SEP PLP 0.406977 0.833333
42 PLP BH2 0.406977 0.803279
43 PLP PMP 0.405405 0.762712
44 LEU PLP 0.402299 0.777778
45 AN7 0.4 0.754386
46 PLP 2KZ 0.4 0.786885
Similar Ligands (3D)
Ligand no: 1; Ligand: SER PLP; Similar ligands found: 41
No: Ligand Similarity coefficient
1 PLS 0.9965
2 P1T 0.9672
3 2BO 0.9592
4 C6P 0.9590
5 PLG 0.9582
6 PDA 0.9544
7 2BK 0.9505
8 TLP 0.9495
9 CKT 0.9431
10 PLI 0.9405
11 PP3 0.9405
12 PDD 0.9355
13 PLP GLY 0.9309
14 5PA 0.9300
15 IN5 0.9298
16 DCS 0.9266
17 7TS 0.9230
18 PLP MET 0.9135
19 MET PLP 0.9132
20 L7N 0.9097
21 IK2 0.9085
22 LCS 0.9073
23 PPD 0.9017
24 PM9 0.8996
25 PLP 2ML 0.8993
26 PY5 0.8964
27 PMH 0.8946
28 ILP 0.8939
29 PLA 0.8936
30 KET 0.8897
31 7XF 0.8851
32 OJQ 0.8846
33 3QP 0.8843
34 3LM 0.8787
35 PLP 0A0 0.8787
36 PGU 0.8744
37 07U 0.8737
38 PPE 0.8704
39 8JF 0.8696
40 PLP SEP 0.8636
41 P19 0.8561
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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