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
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 Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WOR; Ligand: RED; Similar sites found: 20
This union binding pocket(no: 1) in the query (biounit: 1wor.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1L5Y BEF 0.01847 0.41029 1.93548
2 3QSB 743 0.01625 0.41257 2.1978
3 4Q3F TLA 0.03034 0.41325 2.5641
4 5MRH Q9Z 0.01451 0.4192 3.2967
5 3AVR OGA 0.03583 0.40585 3.2967
6 1H8S AIC 0.03023 0.40275 3.96825
7 4KBA 1QM 0.006424 0.43737 6.0423
8 2VDF OCT 0.000588 0.44632 6.32411
9 4UYG 73B 0.02613 0.41327 6.36943
10 4FE2 AIR 0.02865 0.40016 7.84314
11 3KP6 SAL 0.0191 0.41932 7.94702
12 3GUZ PAF 0.03525 0.40249 7.95455
13 4RW3 TDA 0.0291 0.41721 8.60927
14 3OQJ 3CX 0.008578 0.42648 9.33852
15 2XG5 EC5 0.004809 0.44093 11.5607
16 2XG5 EC2 0.004809 0.44093 11.5607
17 1OFL NGK GCD 0.0133 0.43014 11.8132
18 5X1M DHB 0.0001005 0.46847 34.3407
19 5X1M THG 0.0001323 0.46533 34.3407
20 2G30 ALA ALA PHE 0.00005188 0.50636 37.5
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