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(=...
View in 3D viewer
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 54 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 35 families.
1 1AXD - GGL CYW GLY n/a n/a
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1AXD - GGL CYW GLY n/a n/a
2 5F06 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
3 5F05 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
4 4RI6 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
5 1GNW - GTX C16 H30 N3 O6 S CCCCCCSC[C....
6 5A4W Ka = 0.16 uM^-1 QCT C21 H20 O11 C[C@H]1[C@....
7 5A4U Ka = 0.09 uM^-1 I3A C9 H7 N O c1ccc2c(c1....
8 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 GSH GSH 0.688525 0.744681
3 3LF GSH 0.547619 0.696429
4 GSN 0.445946 0.648148
5 GSH EAA 0.438776 0.655172
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: 38
This union binding pocket(no: 1) in the query (biounit: 1axd.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3RHC GSH 0.0004584 0.47317 None
2 3L4N GSH 0.0002638 0.4697 1.5748
3 4O8A FAD 0.03513 0.4081 2.87081
4 3B6Z CO7 0.04343 0.40419 2.87081
5 4G19 GSH 0.00003651 0.53348 4.78469
6 4G10 GSH 0.006015 0.45616 5.26316
7 4AGS GSH 0.00001943 0.53641 5.74163
8 1FUR MLT 0.01053 0.41976 5.74163
9 5KF6 TFB 0.03862 0.40804 5.74163
10 5KF6 FAD 0.03862 0.40804 5.74163
11 5KQA GSH 0.001156 0.42847 6.06061
12 4OD7 ACE PRO TRP ALA THR CYS ASP SER NH2 0.01176 0.41133 8.42105
13 2VCX D26 0.0001175 0.56361 8.54271
14 2VCX GSH 0.0001175 0.56361 8.54271
15 3N5O GSH 0.000002779 0.60151 9.09091
16 4TR1 GSH 0.00632 0.40588 9.78261
17 3ZM6 2GN 0.02035 0.41312 10.5263
18 1PD2 GSH 0.000002842 0.54052 13.5678
19 2JAC GSH 0.0008163 0.4351 13.6364
20 2V6K TGG 0.00002858 0.55013 14.8325
21 3WD6 GSH 0.00001463 0.52791 16.7464
22 2WCI GSH 0.002833 0.40101 17.7778
23 2WUL GSH 0.004872 0.42301 17.7966
24 5H5L GSH 0.000005142 0.57213 32.1782
25 5GZZ GSH 0.007007 0.40377 34.8624
26 3ISO GSH 0.001283 0.4391 35.4067
27 5ECP GSH 0.00005548 0.52448 36.8421
28 4F0B GDS 0.0000002954 0.65686 39.2345
29 3WYW GSH 0.00000007069 0.65452 39.7129
30 3GX0 GDS 0.0000004433 0.64496 39.7129
31 4PNG GSF 0.00000207 0.58767 40.6699
32 3W8S GSH 0.000003703 0.55464 40.7767
33 2ON5 GSH 0.000004698 0.56627 41.2621
34 2YCD GTB 0.00002504 0.5416 42.1053
35 4ZBA GDS 0.0000009 0.64654 43.5407
36 4ZB6 GDS 0.00000001236 0.73066 44.4976
37 1K0D GSH 0.0000009783 0.61829 45.933
38 3C8E GSH 0.00000003911 0.68063 48.3254
Pocket No.: 2; Query (leader) PDB : 1AXD; Ligand: GGL CYW GLY; Similar sites found: 7
This union binding pocket(no: 2) in the query (biounit: 1axd.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3GFS FMN 0.02223 0.40012 3.44828
2 3A06 NDP 0.04793 0.40401 4.30622
3 1KOL NAD 0.03437 0.41549 5.74163
4 1UNB PN1 0.04482 0.40293 5.74163
5 1UNB AKG 0.04062 0.40293 5.74163
6 2B4Q NAP 0.039 0.4057 9.56938
7 1NJJ ORX 0.02848 0.40228 10.5263
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