Receptor
PDB id Resolution Class Description Source Keywords
1WOR 1.95 Å EC: 2.1.2.10 CRYSTAL STRUCTURE OF T-PROTEIN OF THE GLYCINE CLEAVAGE SYSTEM THERMOTOGA MARITIMA AMINOMETHYLTRANSFERASE T-PROTEIN DIHYDROLIPOIC ACID
Ref.: CRYSTAL STRUCTURE OF T-PROTEIN OF THE GLYCINE CLEAVAGE SYSTEM: COFACTOR BINDING, INSIGHTS INTO H-PROTEIN RECOGNITION, AND MOLECULAR BASIS FOR UNDERSTANDING NONKETOTIC HYPERGLYCINEMIA J.BIOL.CHEM. V. 279 50514 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RED A:900;
Valid;
none;
submit data
208.341 C8 H16 O2 S2 C(CCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WOR 1.95 Å EC: 2.1.2.10 CRYSTAL STRUCTURE OF T-PROTEIN OF THE GLYCINE CLEAVAGE SYSTEM THERMOTOGA MARITIMA AMINOMETHYLTRANSFERASE T-PROTEIN DIHYDROLIPOIC ACID
Ref.: CRYSTAL STRUCTURE OF T-PROTEIN OF THE GLYCINE CLEAVAGE SYSTEM: COFACTOR BINDING, INSIGHTS INTO H-PROTEIN RECOGNITION, AND MOLECULAR BASIS FOR UNDERSTANDING NONKETOTIC HYPERGLYCINEMIA J.BIOL.CHEM. V. 279 50514 2004
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1WOR - RED C8 H16 O2 S2 C(CCC(=O)O....
2 1WOO - THG C19 H23 N7 O6 c1cc(ccc1C....
3 1WOP - FFO C20 H23 N7 O7 c1cc(ccc1C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1WOR - RED C8 H16 O2 S2 C(CCC(=O)O....
2 1WOO - THG C19 H23 N7 O6 c1cc(ccc1C....
3 1WOP - FFO C20 H23 N7 O7 c1cc(ccc1C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1WOR - RED C8 H16 O2 S2 C(CCC(=O)O....
2 1WOO - THG C19 H23 N7 O6 c1cc(ccc1C....
3 1WOP - FFO C20 H23 N7 O7 c1cc(ccc1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: RED; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 RED 1 1
2 0L1 0.419355 0.625
Similar Ligands (3D)
Ligand no: 1; Ligand: RED; Similar ligands found: 41
No: Ligand Similarity coefficient
1 8AC 0.9375
2 NPI 0.9221
3 DKA 0.9210
4 ENW 0.9142
5 XOG 0.9111
6 KNA 0.9091
7 SPD 0.9051
8 011 0.9019
9 OCA 0.9010
10 M3L 0.9004
11 MLY 0.9003
12 U4G 0.8980
13 J9Y 0.8974
14 9J6 0.8962
15 6HN 0.8934
16 AHL 0.8920
17 37Z 0.8904
18 TEG 0.8884
19 N8C 0.8869
20 FXY 0.8864
21 CLT 0.8856
22 D10 0.8852
23 GGB 0.8831
24 API 0.8806
25 LPA 0.8805
26 7XA 0.8758
27 NWH 0.8751
28 DIA 0.8729
29 ENV 0.8727
30 NOT 0.8712
31 ODI 0.8694
32 9OD 0.8678
33 DHH 0.8641
34 DE1 0.8640
35 DLT 0.8637
36 GRQ 0.8630
37 OKS 0.8608
38 HPL 0.8604
39 SS9 0.8603
40 L06 0.8570
41 PUW 0.8525
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WOR; Ligand: RED; 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: 1wor.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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