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Receptor
PDB id Resolution Class Description Source Keywords
1AXD 2.5 Å EC: 2.5.1.18 STRUCTURE OF GLUTATHIONE S-TRANSFERASE-I BOUND WITH THE LIGA LACTOYLGLUTATHIONE ZEA MAYS TRANSFERASE HERBICIDE DETOXIFICATION TRANSFERASE-TRANSFERAINHIBITOR COMPLEX
Ref.: CRYSTAL STRUCTURE OF HERBICIDE-DETOXIFYING MAIZE GL S-TRANSFERASE-I IN COMPLEX WITH LACTOYLGLUTATHIONE: FOR AN INDUCED-FIT MECHANISM. J.MOL.BIOL. V. 274 446 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GGL CYW GLY C:1;
D:1;
Valid;
Valid;
none;
none;
submit data
378.382 n/a S(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1AXD 2.5 Å EC: 2.5.1.18 STRUCTURE OF GLUTATHIONE S-TRANSFERASE-I BOUND WITH THE LIGA LACTOYLGLUTATHIONE ZEA MAYS TRANSFERASE HERBICIDE DETOXIFICATION TRANSFERASE-TRANSFERAINHIBITOR COMPLEX
Ref.: CRYSTAL STRUCTURE OF HERBICIDE-DETOXIFYING MAIZE GL S-TRANSFERASE-I IN COMPLEX WITH LACTOYLGLUTATHIONE: FOR AN INDUCED-FIT MECHANISM. J.MOL.BIOL. V. 274 446 1997
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 58 families.
1 1AXD - GGL CYW GLY n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 39 families.
1 1AXD - GGL CYW GLY n/a n/a
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1AXD - GGL CYW GLY n/a n/a
2 5F06 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
3 6F05 Ki = 34 uM GTS C10 H17 N3 O9 S C(CC(=O)N[....
4 6EZY - GSH C10 H17 N3 O6 S C(CC(=O)N[....
5 6F01 - GTS C10 H17 N3 O9 S C(CC(=O)N[....
6 5F05 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
7 4RI6 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
8 1GNW - GTX C16 H30 N3 O6 S CCCCCCSC[C....
9 5A4W Ka = 0.16 M^-1 QCT C21 H20 O11 C[C@H]1[C@....
10 5A4U Ka = 0.09 M^-1 I3A C9 H7 N O c1ccc2c(c1....
11 5A4V - QUE C15 H10 O7 c1cc(c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GGL CYW GLY; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GGL CYW GLY 1 1
2 3LF GSH 0.554217 0.701754
3 GSN 0.445946 0.666667
4 GSH EAA 0.428571 0.661017
5 GTX 0.402439 0.795918
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1AXD; Ligand: GGL CYW GLY; Similar sites found with APoc: 47
This union binding pocket(no: 1) in the query (biounit: 1axd.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3RHC GSH None
2 3L4N GSH 1.5748
3 1D8C SOR 1.91388
4 4O8A FAD 2.87081
5 3B6Z CO7 2.87081
6 4G19 GSH 4.78469
7 4G10 GSH 5.26316
8 4AGS GSH 5.74163
9 1FUR MLT 5.74163
10 5KF6 FAD 5.74163
11 5KF6 TFB 5.74163
12 5KQA GSH 6.06061
13 4OD7 ACE PRO TRP ALA THR CYS ASP SER NH2 8.42105
14 5YWX 93C 8.58586
15 5YWX GSH 8.58586
16 3N5O GSH 9.09091
17 4TR1 GSH 9.78261
18 5J3R GSH 10.3448
19 3ZM6 2GN 10.5263
20 6F68 4EU 13.3971
21 6F68 GSH 13.3971
22 1PD2 GSH 13.5678
23 2JAC GSH 13.6364
24 2V6K TGG 14.8325
25 3WD6 GSH 16.7464
26 6GCB GSH 16.7464
27 2WCI GSH 17.7778
28 2WUL GSH 17.7966
29 5UUO GSH 32.0574
30 5H5L GSH 32.1782
31 5GZZ GSH 34.8624
32 3ISO GSH 35.4067
33 5ECP GSH 36.8421
34 5FHI GSH 36.8421
35 4F0B GDS 39.2345
36 3WYW GSH 39.7129
37 3GX0 GDS 39.7129
38 4PNG GSF 40.6699
39 3W8S GSH 40.7767
40 2ON5 GSH 41.2621
41 2YCD GTB 42.1053
42 4ZBA GDS 43.5407
43 4XT0 GSH 43.5407
44 4ZB6 GDS 44.4976
45 4ZB8 GDS 45.4545
46 1K0D GSH 45.933
47 3C8E GSH 48.3254
Pocket No.: 2; Query (leader) PDB : 1AXD; Ligand: GGL CYW GLY; Similar sites found with APoc: 9
This union binding pocket(no: 2) in the query (biounit: 1axd.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4GNC ASO 2.87081
2 4NAT ADP 3.125
3 3GFS FMN 3.44828
4 3A06 NDP 4.30622
5 1KOL NAD 5.74163
6 1UNB PN1 5.74163
7 1UNB AKG 5.74163
8 2B4Q NAP 9.56938
9 1NJJ ORX 10.5263
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