Receptor
PDB id Resolution Class Description Source Keywords
3RHC 2.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE HOLO FORM OF GLUTAREDOXIN C5 FROM A THALIANA ARABIDOPSIS THALIANA THIOREDOXIN FOLD THIOL-DISULFIDE OXIDOREDUCTASE [2FE-2S] CGLUTAREDOXIN OXIDOREDUCTASE
Ref.: ARABIDOPSIS CHLOROPLASTIC GLUTAREDOXIN C5 AS A MODE EXPLORE MOLECULAR DETERMINANTS FOR IRON-SULFUR CLUS BINDING INTO GLUTAREDOXINS. J.BIOL.CHEM. V. 286 27515 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FES A:115;
Part of Protein;
none;
submit data
175.82 Fe2 S2 S1[Fe...
GSH A:114;
B:114;
Valid;
Valid;
none;
none;
submit data
307.323 C10 H17 N3 O6 S C(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3RHC 2.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE HOLO FORM OF GLUTAREDOXIN C5 FROM A THALIANA ARABIDOPSIS THALIANA THIOREDOXIN FOLD THIOL-DISULFIDE OXIDOREDUCTASE [2FE-2S] CGLUTAREDOXIN OXIDOREDUCTASE
Ref.: ARABIDOPSIS CHLOROPLASTIC GLUTAREDOXIN C5 AS A MODE EXPLORE MOLECULAR DETERMINANTS FOR IRON-SULFUR CLUS BINDING INTO GLUTAREDOXINS. J.BIOL.CHEM. V. 286 27515 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3RHC - 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 1068 families.
1 3RHC - GSH C10 H17 N3 O6 S C(CC(=O)N[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3RHC - GSH C10 H17 N3 O6 S C(CC(=O)N[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GSH; Similar ligands found: 50
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 GDS 0.672727 0.837209
6 GS8 0.672727 0.840909
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 TS5 0.573529 0.880952
16 GSB 0.528571 0.878049
17 0HH 0.528571 0.782609
18 GSO 0.521127 0.857143
19 BOB 0.493506 0.75
20 GTB 0.493333 0.631579
21 GBI 0.486842 0.782609
22 48T 0.481013 0.8
23 ESG 0.480519 0.62069
24 GTD 0.480519 0.6
25 L9X 0.480519 0.62069
26 1R4 0.474359 0.62069
27 GIP 0.474359 0.6
28 GPS 0.468354 0.72
29 GPR 0.468354 0.72
30 GBP 0.468354 0.6
31 GAZ 0.457831 0.679245
32 GVX 0.45679 0.8
33 HFV 0.447761 0.8
34 ASV 0.446154 0.9
35 GNB 0.445783 0.6
36 VB1 0.444444 0.9
37 W05 0.444444 0.923077
38 LZ6 0.436782 0.692308
39 ACV 0.430769 0.878049
40 BCV 0.424242 0.9
41 CDH 0.424242 0.818182
42 2G2 0.42029 0.615385
43 HGA 0.42 0.622222
44 MEQ 0.411765 0.658537
45 M8F 0.411765 0.837209
46 TS4 0.410256 0.804348
47 M9F 0.405797 0.837209
48 M2W 0.4 0.8
49 KKA 0.4 0.894737
50 ACW 0.4 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3RHC; Ligand: GSH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3rhc.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3RHC; Ligand: GSH; Similar sites found: 50
This union binding pocket(no: 2) in the query (biounit: 3rhc.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1U3I GSH 0.000257 0.49082 None
2 1ZL9 GSH 0.000403 0.48988 None
3 2ON5 GSH 0.0003887 0.47667 None
4 1AXD GGL CYW GLY 0.0004584 0.47317 None
5 1GWC GTX 0.0002119 0.47084 None
6 5H5L GSH 0.0007092 0.4477 None
7 3ISO GSH 0.005196 0.42503 None
8 5F05 GSH 0.00397 0.41331 None
9 3O76 GTB 0.0009337 0.40914 None
10 2HNL GSH 0.0005496 0.46297 1.76991
11 4RI6 GSH 0.005303 0.41618 1.76991
12 1M0U GSH 0.001092 0.45786 3.53982
13 2D2F ADP 0.02748 0.40114 3.53982
14 3VWX GSH 0.0002794 0.48367 5.30973
15 2OG2 MLI 0.003673 0.45433 5.30973
16 1PD2 GSH 0.0002338 0.44621 5.30973
17 4WZA ADP 0.02724 0.43116 5.30973
18 1K0D GSH 0.004764 0.4281 5.30973
19 4WZA ACP 0.03844 0.42277 5.30973
20 5AN1 GSH 0.007072 0.41972 6.19469
21 2F5X ASP 0.008865 0.41028 6.19469
22 4USS GSH 0.005896 0.41896 7.07965
23 2AAW GTX 0.0004903 0.40259 7.07965
24 2WW2 SWA 0.01234 0.40019 7.07965
25 3F6D GTX 0.00003368 0.45712 7.9646
26 2C3Q GTX 0.004982 0.42259 7.9646
27 1AE1 NAP 0.04081 0.40289 7.9646
28 5LOL GSH 0.00002627 0.53823 8.84956
29 3VPQ GSH 0.0001308 0.50852 8.84956
30 5ECP GSH 0.0002438 0.45777 8.84956
31 3C8E GSH 0.0005264 0.44284 8.84956
32 1TU7 GSH 0.0006882 0.42948 9.73451
33 1OYJ GSH 0.0001346 0.50471 10.6195
34 2AWN ADP 0.01749 0.4114 10.6195
35 5F06 GSH 0.008003 0.40012 10.6195
36 3WD6 GSH 0.0004903 0.47529 13.2743
37 1GXU 2HP 0.01231 0.41869 14.2857
38 4YH2 GSH 0.00006365 0.50744 15.9292
39 3B9Q MLI 0.007444 0.43234 16.8142
40 1DUG GSH 0.02088 0.42044 17.6991
41 1V2A GTS 0.00003015 0.53736 19.469
42 3W8S GSH 0.00009125 0.51279 20.354
43 2GSR GTS 0.0005157 0.46429 20.354
44 3WYW GSH 0.0001493 0.49696 21.2389
45 1JLV GSH 0.0001157 0.49511 22.1239
46 1R5A GTS 0.0001791 0.48609 23.8938
47 2IMI GSH 0.00005929 0.45187 23.8938
48 4AGS GSH 0.002155 0.44034 23.8938
49 1PN9 GTX 0.00006114 0.52575 30.9735
50 3L4N GSH 0.00000002554 0.68946 42.5197
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