Receptor
PDB id Resolution Class Description Source Keywords
5D9X 1.68 Å EC: 1.-.-.- DEHYDROASCORBATE REDUCTASE COMPLEXED WITH GSH ORYZA SATIVA SUBSP. JAPONICA OSDHAR ORYZA SATIVA L. JAPONICA ASCORBATE PLANT PROTEIN
Ref.: STRUCTURAL UNDERSTANDING OF THE RECYCLING OF OXIDIZ ASCORBATE BY DEHYDROASCORBATE REDUCTASE (OSDHAR) FR SATIVA L. JAPONICA SCI REP V. 6 19498 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GSH A:301;
Valid;
none;
submit data
307.323 C10 H17 N3 O6 S C(CC(...
CA A:302;
Invalid;
none;
submit data
40.078 Ca [Ca+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5D9X 1.68 Å EC: 1.-.-.- DEHYDROASCORBATE REDUCTASE COMPLEXED WITH GSH ORYZA SATIVA SUBSP. JAPONICA OSDHAR ORYZA SATIVA L. JAPONICA ASCORBATE PLANT PROTEIN
Ref.: STRUCTURAL UNDERSTANDING OF THE RECYCLING OF OXIDIZ ASCORBATE BY DEHYDROASCORBATE REDUCTASE (OSDHAR) FR SATIVA L. JAPONICA SCI REP V. 6 19498 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 352 families.
1 5D9W - ASC C6 H8 O6 C([C@@H]([....
2 5D9X - GSH C10 H17 N3 O6 S C(CC(=O)N[....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 39 families.
1 5D9W - ASC C6 H8 O6 C([C@@H]([....
2 5D9X - GSH C10 H17 N3 O6 S C(CC(=O)N[....
3 5LOL - 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 19 families.
1 5D9W - ASC C6 H8 O6 C([C@@H]([....
2 5D9X - GSH C10 H17 N3 O6 S C(CC(=O)N[....
3 5LOL - GSH C10 H17 N3 O6 S C(CC(=O)N[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GSH; Similar ligands found: 52
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 GTS 0.672727 0.660714
6 GS8 0.672727 0.840909
7 GDS 0.672727 0.837209
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 KSN 0.528302 0.789474
20 GSO 0.521127 0.857143
21 BOB 0.493506 0.75
22 GTB 0.493333 0.631579
23 GBI 0.486842 0.782609
24 48T 0.481013 0.8
25 L9X 0.480519 0.62069
26 GTD 0.480519 0.6
27 ESG 0.480519 0.62069
28 GIP 0.474359 0.6
29 1R4 0.474359 0.62069
30 GPR 0.468354 0.72
31 GBP 0.468354 0.6
32 GPS 0.468354 0.72
33 GAZ 0.457831 0.679245
34 GVX 0.45679 0.8
35 HFV 0.447761 0.8
36 ASV 0.446154 0.9
37 GNB 0.445783 0.6
38 VB1 0.444444 0.9
39 W05 0.444444 0.923077
40 LZ6 0.436782 0.692308
41 ACV 0.430769 0.878049
42 BCV 0.424242 0.9
43 CDH 0.424242 0.818182
44 2G2 0.42029 0.615385
45 HGA 0.42 0.622222
46 MEQ 0.411765 0.658537
47 M8F 0.411765 0.837209
48 TS4 0.410256 0.804348
49 M9F 0.405797 0.837209
50 ACW 0.4 0.8
51 M2W 0.4 0.8
52 KKA 0.4 0.894737
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5D9X; 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: 1) in the query (biounit: 5d9x.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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