-->
Receptor
PDB id Resolution Class Description Source Keywords
3N5O 1.85 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF PUTATIVE GLUTATHIONE TRANSFERASE FROM COCCIDIOIDES IMMITIS BOUND TO GLUTATHIONE COCCIDIOIDES IMMITIS SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE SGST GLUTATHIONE TRANSFERASE PATHOGENIC FUNGUS COCCIDIOIDOMYCOSIS VALLEY FEVER MENINGITIS
Ref.: STRUCTURES OF A PUTATIVE ZETA-CLASS GLUTATHIONE S-TRANSFERASE FROM THE PATHOGENIC FUNGUS COCCIDIOID IMMITIS. ACTA CRYSTALLOGR.,SECT.F V. 67 1038 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GSH A:232;
Valid;
none;
submit data
307.323 C10 H17 N3 O6 S C(CC(...
SO4 A:233;
B:233;
B:693;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3N5O 1.85 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF PUTATIVE GLUTATHIONE TRANSFERASE FROM COCCIDIOIDES IMMITIS BOUND TO GLUTATHIONE COCCIDIOIDES IMMITIS SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE SGST GLUTATHIONE TRANSFERASE PATHOGENIC FUNGUS COCCIDIOIDOMYCOSIS VALLEY FEVER MENINGITIS
Ref.: STRUCTURES OF A PUTATIVE ZETA-CLASS GLUTATHIONE S-TRANSFERASE FROM THE PATHOGENIC FUNGUS COCCIDIOID IMMITIS. ACTA CRYSTALLOGR.,SECT.F V. 67 1038 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 3N5O - 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 237 families.
1 3N5O - GSH C10 H17 N3 O6 S C(CC(=O)N[....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1FW1 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
2 2V6K - TGG C14 H21 N3 O10 S C(CC(=O)N[....
3 2JL4 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
4 3N5O - 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 : 3N5O; Ligand: GSH; Similar sites found with APoc: 121
This union binding pocket(no: 1) in the query (biounit: 3n5o.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 3KIV ACA None
2 3RHC GSH None
3 2JAC GSH None
4 4OWK NGA None
5 4TR1 GSH None
6 3GST GPR None
7 2GSR GTS 0.966184
8 3CQL NAG 1.2766
9 1M0U GSH 1.70213
10 1FL2 FAD 2.12766
11 2BF6 SIA 2.12766
12 1M1B SPV 2.12766
13 1R4W GSH 2.21239
14 5AN1 GSH 2.28311
15 2GZM DGL 2.55319
16 1YZX GSF 2.65487
17 4J51 N75 2.97872
18 2GN2 C5P 2.97872
19 1GPE FAD 2.97872
20 2FHE GSH 3.24074
21 3IE3 N11 3.34928
22 3IE3 GSH 3.34928
23 3FXU TSU 3.40426
24 1GSU GTX 3.65297
25 5HJM MTA 3.82979
26 1V7Z CRN 3.82979
27 4XFR CIT 4.25532
28 3CH6 NAP 4.25532
29 3CH6 311 4.25532
30 2VVT DGL 4.25532
31 1U6R IOM 4.68085
32 1K4M CIT 4.69484
33 4XG0 CIT 4.91803
34 1U26 IHS 5.10638
35 4A59 AMP 5.10638
36 2JFQ DGL 5.10638
37 3FPZ AHZ 5.10638
38 1SQS TLA 5.10638
39 2OBM ADP 5.10638
40 1DUG GSH 5.55556
41 5CIC 51R 5.55556
42 6E8I PTR 5.91716
43 2GSQ GBI 5.94059
44 2GQT FAD 5.97015
45 4XFM THE 6.38298
46 2IMP LAC 6.38298
47 1OF8 G3P 6.38298
48 4OD7 ACE PRO TRP ALA THR CYS ASP SER NH2 6.84211
49 3VPQ GSH 6.86275
50 1R5A GTS 6.88073
51 5J3R GSH 6.89655
52 4USS GSH 7.23404
53 5GZZ GSH 7.23404
54 1T36 ORN 7.23404
55 2HNL GSH 7.55556
56 3E3U NVC 7.61421
57 2WUL GSH 7.62712
58 3HRD NIO 7.65957
59 1ORR NAD 7.65957
60 3VWX GSH 8.10811
61 2C80 GTX 8.53081
62 3O76 GTB 8.61244
63 1KOL NAD 8.79397
64 3T95 PAV 8.93617
65 1AXD GGL CYW GLY 9.09091
66 2IMF TOM 9.35961
67 2IMF GSH 9.35961
68 2J5V RGP 9.3617
69 4AGS GSH 9.78723
70 1U3I GSH 9.95261
71 2IMI GSH 10.4072
72 1ZL9 GSH 10.628
73 3GX0 GDS 10.6977
74 1ML6 GBX 10.8597
75 3L4N GSH 11.0236
76 3AI3 SOE 11.0638
77 3IBH GSH 11.588
78 2WCI GSH 11.8519
79 3CX5 SMA 12.3404
80 3IK7 BOB 12.6126
81 2A06 SMA 12.8205
82 1K0D GSH 13.1915
83 5KQA GSH 14.3939
84 1YDK GTX 14.8649
85 2C3Q GTX 14.8936
86 5BSR COA 15.3191
87 5BSR AMP 15.3191
88 1PD2 GSH 15.5779
89 5YWX 93C 16.1616
90 5YWX GSH 16.1616
91 5LOL GSH 16.7442
92 1V2A GTS 17.1429
93 2AAW GTX 18.4685
94 1TU7 GSH 19.7115
95 5G5F GSH 20.0873
96 4ZB6 GDS 20.1794
97 4XT0 GSH 21.2766
98 1OYJ GSH 24.6753
99 1N2A GTS 25.8706
100 5ECP GSH 29.5964
101 5ECS GSH 29.5964
102 6F05 GTS 31.1628
103 1PN9 GTX 31.5789
104 5ZWP GSH 31.7308
105 4IS0 GDS 31.9149
106 4IS0 1R4 31.9149
107 6F70 GSH 31.9149
108 4RI6 GSH 32.093
109 1GWC GTX 32.6087
110 2VO4 GTB 33.3333
111 3F6D GTX 33.79
112 4YH2 GSH 34.2342
113 5A4W QCT 34.9057
114 1JLV GSH 34.9282
115 4PNG GSF 35.8079
116 6EP7 GSH 38.6364
117 2PVQ GSH 39.3035
118 4ZB8 GDS 39.6396
119 4ZBA GDS 41.2556
120 2DSA HPX 44.335
121 2DSA GSH 44.335
Pocket No.: 2; Query (leader) PDB : 3N5O; 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: 3n5o.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3N5O; 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: 3) in the query (biounit: 3n5o.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback