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Receptor
PDB id Resolution Class Description Source Keywords
4USS 2.5 Å EC: 2.5.1.18 POPULUS TRICHOCARPA GLUTATHIONE TRANSFERASE X1-1 (GHR1), COMPLEXED WITH GLUTATHIONE POPULUS TRICHOCARPA TRANSFERASE CLASS XI POPLAR PLASTIDS
Ref.: GLUTATHIONYL-HYDROQUINONE REDUCTASES FROM POPLAR AR PLASTIDIAL PROTEINS THAT DEGLUTATHIONYLATE BOTH RED OXIDIZED GLUTATHIONYLATED QUINONES. FEBS LETT. V. 589 37 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:502;
A:501;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
GSH A:500;
Valid;
none;
submit data
307.323 C10 H17 N3 O6 S C(CC(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4USS 2.5 Å EC: 2.5.1.18 POPULUS TRICHOCARPA GLUTATHIONE TRANSFERASE X1-1 (GHR1), COMPLEXED WITH GLUTATHIONE POPULUS TRICHOCARPA TRANSFERASE CLASS XI POPLAR PLASTIDS
Ref.: GLUTATHIONYL-HYDROQUINONE REDUCTASES FROM POPLAR AR PLASTIDIAL PROTEINS THAT DEGLUTATHIONYLATE BOTH RED OXIDIZED GLUTATHIONYLATED QUINONES. FEBS LETT. V. 589 37 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 58 families.
1 4USS - GSH C10 H17 N3 O6 S C(CC(=O)N[....
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 4USS - GSH C10 H17 N3 O6 S C(CC(=O)N[....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 4USS - GSH C10 H17 N3 O6 S C(CC(=O)N[....
2 6GCC - EU8 C18 H32 O40 S8 C([C@@H]1[....
3 6GCB - GSH C10 H17 N3 O6 S C(CC(=O)N[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GSH; Similar ligands found: 51
No: Ligand ECFP6 Tc MDL keys Tc
1 GSH 1 1
2 HCG 0.75 0.973684
3 HGS 0.730769 0.925
4 GSM 0.690909 0.878049
5 GS8 0.672727 0.840909
6 GDS 0.672727 0.837209
7 GTS 0.672727 0.660714
8 GSF 0.660714 0.72549
9 AHE 0.649123 0.9
10 3GC 0.645833 0.918919
11 HGD 0.637931 0.837209
12 GCG 0.6 0.860465
13 KGT 0.592593 0.923077
14 TGG 0.587302 0.9
15 BWS 0.581818 0.871795
16 TS5 0.573529 0.880952
17 GSB 0.528571 0.878049
18 0HH 0.528571 0.782609
19 GSO 0.521127 0.857143
20 BOB 0.493506 0.75
21 GTB 0.493333 0.631579
22 GBI 0.486842 0.782609
23 48T 0.481013 0.8
24 GTD 0.480519 0.6
25 ESG 0.480519 0.62069
26 L9X 0.480519 0.62069
27 1R4 0.474359 0.62069
28 GIP 0.474359 0.6
29 GBP 0.468354 0.6
30 GPS 0.468354 0.72
31 GPR 0.468354 0.72
32 GAZ 0.457831 0.679245
33 GVX 0.45679 0.8
34 HFV 0.447761 0.8
35 ASV 0.446154 0.9
36 GNB 0.445783 0.6
37 VB1 0.444444 0.9
38 W05 0.444444 0.923077
39 LZ6 0.436782 0.692308
40 ACV 0.430769 0.878049
41 CDH 0.424242 0.818182
42 BCV 0.424242 0.9
43 2G2 0.42029 0.615385
44 HGA 0.42 0.622222
45 MEQ 0.411765 0.658537
46 M8F 0.411765 0.837209
47 TS4 0.410256 0.804348
48 M9F 0.405797 0.837209
49 KKA 0.4 0.894737
50 ACW 0.4 0.8
51 M2W 0.4 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4USS; Ligand: GSH; Similar sites found with APoc: 64
This union binding pocket(no: 1) in the query (biounit: 4uss.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2CVQ NDP 2.15385
2 2VGD XYP XYP 2.29358
3 2WYV NAD 2.29885
4 4PIO SAH 2.47678
5 1HZP DAO 2.76923
6 4BUY F37 2.91667
7 5J3R GSH 2.95567
8 5YWX 93C 3.0303
9 5YWX GSH 3.0303
10 3BNK FMN 3.06122
11 1V6A TRE 3.07692
12 4XT0 GSH 3.25203
13 2ON5 GSH 3.39806
14 3RUV ANP 3.49908
15 5NWD 9C8 3.66492
16 4HMX WUB 3.72093
17 2WUL GSH 4.23729
18 2V6K TGG 4.6729
19 3L4N GSH 4.72441
20 3PC3 P1T 4.74383
21 3C8E GSH 4.86111
22 3GX0 GDS 5.11628
23 5X40 ACP 5.13699
24 4AGS GSH 5.23077
25 3W8S GSH 5.33981
26 4D7E FAD 5.53846
27 3CTY FAD 5.64263
28 5H5L GSH 5.94059
29 5NM7 GLY 6.01504
30 5UUO GSH 6.14334
31 2ED4 FAD 6.71141
32 4OD7 ACE PRO TRP ALA THR CYS ASP SER NH2 6.84211
33 3RHC GSH 7.07965
34 3N5O GSH 7.23404
35 4F07 FAD 7.36842
36 1VEM GLC GLC 7.38462
37 5F06 GSH 7.40741
38 4G19 GSH 7.50988
39 6F68 4EU 7.72358
40 6F68 GSH 7.72358
41 4G10 GSH 7.92453
42 1Q3Q ANP 8
43 1C7O PPG 8
44 1USF FMN 8.42697
45 3K87 FAD 10.2703
46 1K0D GSH 10.3846
47 5SWI BMA 10.7692
48 5KQA GSH 11.3636
49 4ZB8 GDS 11.7117
50 4ZB6 GDS 12.1076
51 1PD2 GSH 13.5678
52 2JAC GSH 13.6364
53 3WD6 GSH 14.4531
54 4TR1 GSH 15.2174
55 5F05 GSH 15.566
56 4ZBA GDS 15.6951
57 3WYW GSH 16.2037
58 4F0B GDS 17.4107
59 2WCI GSH 20.7407
60 2YCD GTB 20.8696
61 5GZZ GSH 21.5596
62 5FHI GSH 22.9508
63 4PNG GSF 24.8908
64 5ECP GSH 27.3543
Pocket No.: 2; Query (leader) PDB : 4USS; Ligand: GSH; 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: 4uss.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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