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Receptor
PDB id Resolution Class Description Source Keywords
2YCD 1.4 Å EC: 2.-.-.- STRUCTURE OF A NOVEL GLUTATHIONE TRANSFERASE FROM AGROBACTER TUMEFACIENS. AGROBACTERIUM TUMEFACIENS TRANSFERASE SOIL BACTERIA HERBICIDE DETOXIFICATION
Ref.: A GLUTATHIONE TRANSFERASE FROM AGROBACTERIUM TUMEFA REVEALS A NOVEL CLASS OF BACTERIAL GST SUPERFAMILY. PLOS ONE V. 7 34263 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GTB A:501;
Valid;
none;
submit data
442.444 C17 H22 N4 O8 S c1cc(...
PO4 A:601;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YCD 1.4 Å EC: 2.-.-.- STRUCTURE OF A NOVEL GLUTATHIONE TRANSFERASE FROM AGROBACTER TUMEFACIENS. AGROBACTERIUM TUMEFACIENS TRANSFERASE SOIL BACTERIA HERBICIDE DETOXIFICATION
Ref.: A GLUTATHIONE TRANSFERASE FROM AGROBACTERIUM TUMEFA REVEALS A NOVEL CLASS OF BACTERIAL GST SUPERFAMILY. PLOS ONE V. 7 34263 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 2YCD - GTB C17 H22 N4 O8 S c1cc(ccc1C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 2YCD - GTB C17 H22 N4 O8 S c1cc(ccc1C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 2YCD - GTB C17 H22 N4 O8 S c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GTB; Similar ligands found: 27
No: Ligand ECFP6 Tc MDL keys Tc
1 GTB 1 1
2 GSB 0.746667 0.714286
3 1R4 0.695122 0.982456
4 GNB 0.655172 0.916667
5 GBI 0.650602 0.683333
6 AHE 0.616438 0.637931
7 GDN 0.616279 0.887097
8 0HG 0.571429 0.7
9 GTD 0.568182 0.825397
10 GDS 0.567568 0.633333
11 GS8 0.567568 0.612903
12 GSM 0.56 0.627119
13 GSO 0.552941 0.701754
14 HGD 0.545455 0.633333
15 ABY 0.517241 0.650794
16 TGG 0.512195 0.637931
17 GVX 0.510638 0.639344
18 VWW 0.505618 0.655172
19 48T 0.5 0.666667
20 GIP 0.494624 0.742424
21 GSH 0.493333 0.631579
22 GBP 0.489362 0.742424
23 LZ6 0.475248 0.725806
24 GPR 0.473684 0.615385
25 GPS 0.473684 0.615385
26 BYG 0.439655 0.692308
27 HCG 0.402439 0.62069
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YCD; Ligand: GTB; Similar sites found with APoc: 78
This union binding pocket(no: 1) in the query (biounit: 2ycd.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 2GSQ GBI None
2 1ML6 GBX 0.904977
3 1U3I GSH 2.36967
4 2C80 GTX 2.36967
5 5J3R GSH 2.46305
6 1VF1 GSH 2.62009
7 3RHC GSH 2.65487
8 2VO4 GTB 2.73973
9 4TR1 GSH 3.26087
10 3L4N GSH 3.93701
11 1YDK GTX 4.05405
12 2WCI GSH 5.18518
13 4AGS GSH 6.52174
14 1M0U GSH 7.82609
15 1GWC GTX 7.82609
16 1DUG GSH 8.26087
17 1OYJ GSH 8.65801
18 5GZZ GSH 8.7156
19 5G5F GSH 10.0437
20 6EGU 43Y 10.8696
21 2OKK ABU 10.8696
22 4ZB6 GDS 11.2108
23 3VPQ GSH 11.2745
24 1FW1 GSH 11.5741
25 2JAC GSH 14.5455
26 5LOL GSH 15.3488
27 3IBH GSH 16.087
28 1ZL9 GSH 16.9082
29 2V6K TGG 17.2897
30 6F70 GSH 17.3913
31 5KQA GSH 17.4242
32 1TU7 GSH 17.7885
33 3IK7 BOB 19.3694
34 1K0D GSH 20
35 4USS GSH 20.8696
36 2AAW GTX 23.4234
37 2C3Q GTX 24.7826
38 4IS0 1R4 25.6522
39 4IS0 GDS 25.6522
40 1R5A GTS 27.0642
41 2C4J GSO 27.0642
42 5ECS GSH 27.8027
43 5ECP GSH 27.8027
44 3GST GPR 29.0323
45 5AN1 GSH 29.6804
46 4PNG GSF 30.5677
47 3F6D GTX 30.5936
48 4ZB8 GDS 30.6306
49 5ZWP GSH 30.7692
50 4RI6 GSH 31.1628
51 3GX0 GDS 31.6279
52 1PN9 GTX 32.0574
53 4XT0 GSH 32.1739
54 2IMI GSH 32.5792
55 4YH2 GSH 32.8829
56 2GSR GTS 33.8164
57 1JLV GSH 33.9713
58 3VWX GSH 34.2342
59 3O76 GTB 34.4498
60 5YWX GSH 34.8485
61 5YWX 93C 34.8485
62 2FHE GSH 35.6481
63 5A4W QCT 36.3208
64 6EP7 GSH 36.8182
65 1PD2 GSH 37.1859
66 1B4P GPS 37.3272
67 2DSA HPX 37.4384
68 2DSA GSH 37.4384
69 1GSU GTX 37.4429
70 4ZBA GDS 37.6682
71 1V2A GTS 38.0952
72 2HNL GSH 38.2222
73 6F05 GTS 38.6047
74 3IE3 GSH 40.6699
75 3IE3 N11 40.6699
76 2PVQ GSH 41.2935
77 1AXD GGL CYW GLY 42.1053
78 1N2A GTS 43.2836
Pocket No.: 2; Query (leader) PDB : 2YCD; Ligand: GTB; 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: 2ycd.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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