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Receptor
PDB id Resolution Class Description Source Keywords
4G10 1.2 Å EC: 2.-.-.- LIGG FROM SPHINGOBIUM SP. SYK-6 IS RELATED TO THE GLUTATHION TRANSFERASE OMEGA CLASS SPHINGOMONAS PAUCIMOBILIS THIOREDOXIN FOLD TRANSFERASE
Ref.: SPHINGOBIUM SP. SYK-6 LIGG INVOLVED IN LIGNIN DEGRA STRUCTURALLY AND BIOCHEMICALLY RELATED TO THE GLUTA TRANSFERASE OMEGA CLASS. FEBS LETT. V. 586 3944 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:301;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
GSH A:300;
Valid;
none;
submit data
307.323 C10 H17 N3 O6 S C(CC(...
SO4 A:302;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4G10 1.2 Å EC: 2.-.-.- LIGG FROM SPHINGOBIUM SP. SYK-6 IS RELATED TO THE GLUTATHION TRANSFERASE OMEGA CLASS SPHINGOMONAS PAUCIMOBILIS THIOREDOXIN FOLD TRANSFERASE
Ref.: SPHINGOBIUM SP. SYK-6 LIGG INVOLVED IN LIGNIN DEGRA STRUCTURALLY AND BIOCHEMICALLY RELATED TO THE GLUTA TRANSFERASE OMEGA CLASS. FEBS LETT. V. 586 3944 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 4YAV - GAZ C20 H27 N3 O9 S COc1ccc(cc....
2 4G10 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 4YAV - GAZ C20 H27 N3 O9 S COc1ccc(cc....
2 4G10 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 4YAV - GAZ C20 H27 N3 O9 S COc1ccc(cc....
2 4G10 - 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 : 4G10; Ligand: GSH; Similar sites found with APoc: 87
This union binding pocket(no: 1) in the query (biounit: 4g10.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 2JAC GSH None
2 4OD7 ACE PRO TRP ALA THR CYS ASP SER NH2 1.57895
3 3GX0 GDS 2.32558
4 1TU7 GSH 2.40385
5 1N2A GTS 2.48756
6 2AAW GTX 2.7027
7 3IE3 N11 2.87081
8 3IE3 GSH 2.87081
9 2C3Q GTX 3.23887
10 2IMF GSH 3.44828
11 2IMF TOM 3.44828
12 2HNL GSH 3.55556
13 1XW6 GSH 3.66972
14 5X7Q GLC GLC GLC GLC 3.77358
15 5X7Q GLC GLC GLC 3.77358
16 1U25 IHS 3.77358
17 2GSR GTS 3.86473
18 1K1Y MAL 4.15094
19 2FHE GSH 4.16667
20 5A4W QCT 4.24528
21 1U3I GSH 4.2654
22 2C80 GTX 4.2654
23 5J3R GSH 4.4335
24 1YDK GTX 4.5045
25 3GST GPR 4.60829
26 4WR4 GSH 4.91803
27 4ZBA GDS 4.93274
28 2C4J GSO 5.04587
29 1AXD GGL CYW GLY 5.26316
30 1DUG GSH 5.55556
31 2YGO PCF 5.85106
32 5GZZ GSH 6.79245
33 2YGN PCF 7.05128
34 3L4N GSH 7.08661
35 1K0D GSH 7.30769
36 4USS GSH 7.92453
37 2WUL GSH 8.47458
38 5YWX GSH 8.58586
39 5YWX 93C 8.58586
40 1M0U GSH 9.23695
41 5AN1 GSH 9.58904
42 1R4W GSH 9.73451
43 5KQA GSH 10.6061
44 5EHS 5OY 12.8302
45 5EHS 2JJ 12.8302
46 3F6D GTX 13.242
47 2WCI GSH 14.0741
48 4XT0 GSH 14.2276
49 3RHC GSH 15.0442
50 4ZB6 GDS 16.1435
51 6F05 GTS 16.7442
52 3VPQ GSH 17.1569
53 5ZWP GSH 17.3077
54 1OYJ GSH 17.7489
55 2GSQ GBI 18.3168
56 2V6K TGG 19.1589
57 1R5A GTS 20.1835
58 1PD2 GSH 20.603
59 2DSA HPX 21.1823
60 2DSA GSH 21.1823
61 6F70 GSH 23.4127
62 1ZL9 GSH 25.1208
63 3O76 GTB 27.2727
64 2IMI GSH 27.6018
65 3VWX GSH 28.3784
66 4AGS GSH 29.0566
67 1JLV GSH 29.6651
68 4TR1 GSH 30.4348
69 5G5F GSH 31.0044
70 4ZB8 GDS 31.0811
71 4RI6 GSH 31.1628
72 3IBH GSH 31.3305
73 1GWC GTX 31.7391
74 2PVQ GSH 32.3383
75 4IS0 GDS 32.3651
76 4IS0 1R4 32.3651
77 4PNG GSF 32.7511
78 5D9X GSH 33.4783
79 4YH2 GSH 34.2342
80 2VO4 GTB 35.6164
81 1V2A GTS 35.7143
82 5ECS GSH 35.8744
83 5ECP GSH 35.8744
84 1FW1 GSH 37.963
85 6EP7 GSH 38.1818
86 1PN9 GTX 39.7129
87 5LOL GSH 40.9302
Pocket No.: 2; Query (leader) PDB : 4G10; 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: 4g10.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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