Receptor
PDB id Resolution Class Description Source Keywords
4B2D 2.3 Å EC: 2.7.1.40 HUMAN PKM2 WITH L-SERINE AND FBP BOUND. HOMO SAPIENS TRANSFERASE TUMOUR PKM2 GLYCOLYSIS
Ref.: SERINE IS A NATURAL LIGAND AND ALLOSTERIC ACTIVATOR PYRUVATE KINASE M2. NATURE V. 491 458 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FBP A:600;
B:600;
C:600;
D:600;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
340.116 C6 H14 O12 P2 C([C@...
MG A:700;
C:700;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
SER A:1532;
B:1532;
C:1532;
D:1532;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 200 uM
105.093 C3 H7 N O3 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4B2D 2.3 Å EC: 2.7.1.40 HUMAN PKM2 WITH L-SERINE AND FBP BOUND. HOMO SAPIENS TRANSFERASE TUMOUR PKM2 GLYCOLYSIS
Ref.: SERINE IS A NATURAL LIGAND AND ALLOSTERIC ACTIVATOR PYRUVATE KINASE M2. NATURE V. 491 458 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4B2D Kd = 200 uM SER C3 H7 N O3 C([C@@H](C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4B2D Kd = 200 uM SER C3 H7 N O3 C([C@@H](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 4B2D Kd = 200 uM SER C3 H7 N O3 C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FBP; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 AFP 1 1
2 FBP 1 1
3 F1X 0.744186 0.954545
4 TA6 0.666667 0.954545
5 F6P 0.666667 0.954545
6 FDP 0.462963 0.954545
7 OI7 0.448276 0.976744
8 F1P 0.418182 0.847826
9 AHG 0.404255 0.930233
Ligand no: 2; Ligand: SER; Similar ligands found: 33
No: Ligand ECFP6 Tc MDL keys Tc
1 DSN 1 1
2 SER 1 1
3 CYS 0.65 0.84
4 DCY 0.65 0.84
5 ABA 0.6 0.692308
6 2RA 0.6 0.75
7 DBB 0.6 0.692308
8 HSE 0.590909 0.821429
9 C2N 0.571429 0.730769
10 ASP 0.545455 0.714286
11 ASN 0.545455 0.625
12 DAS 0.545455 0.714286
13 DAB 0.521739 0.724138
14 HL5 0.518519 0.814815
15 CSO 0.5 0.636364
16 LEU 0.5 0.642857
17 API 0.5 0.633333
18 HCS 0.5 0.777778
19 NVA 0.5 0.62069
20 AS2 0.5 0.703704
21 CSS 0.48 0.689655
22 DGY 0.47619 0.607143
23 GGL 0.461538 0.655172
24 DGL 0.461538 0.655172
25 GLU 0.461538 0.655172
26 ORN 0.444444 0.689655
27 SLZ 0.433333 0.625
28 11C 0.413793 0.633333
29 UN1 0.413793 0.633333
30 DLY 0.413793 0.666667
31 CME 0.40625 0.666667
32 LYS 0.4 0.645161
33 DHH 0.4 0.612903
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4B2D; Ligand: SER; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4b2d.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4B2D; Ligand: FBP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4b2d.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4B2D; Ligand: FBP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4b2d.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4B2D; Ligand: SER; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4b2d.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4B2D; Ligand: FBP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4b2d.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4B2D; Ligand: FBP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4b2d.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4B2D; Ligand: SER; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4b2d.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4B2D; Ligand: SER; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4b2d.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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