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Receptor
PDB id Resolution Class Description Source Keywords
4GDX 1.67 Å EC: 2.3.2.2 CRYSTAL STRUCTURE OF HUMAN GAMMA-GLUTAMYL TRANSPEPTIDASE--GL COMPLEX HOMO SAPIENS PRODUCT-ENZYME COMPLEX NTN-HYDROLASE FAMILY GLYCOPROTEIN GLYCOSYLATION CELL SURFACE HYDROLASE
Ref.: NOVEL INSIGHTS INTO EUKARYOTIC GAMMA-GLUTAMYLTRANSP 1 FROM THE CRYSTAL STRUCTURE OF THE GLUTAMATE-BOUND ENZYME. J.BIOL.CHEM. V. 288 31902 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG A:601;
A:604;
B:1101;
A:605;
A:602;
A:603;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
CL A:606;
B:1103;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
NA A:607;
Part of Protein;
none;
submit data
22.99 Na [Na+]
GLU B:1102;
Valid;
none;
submit data
147.129 C5 H9 N O4 C(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4GDX 1.67 Å EC: 2.3.2.2 CRYSTAL STRUCTURE OF HUMAN GAMMA-GLUTAMYL TRANSPEPTIDASE--GL COMPLEX HOMO SAPIENS PRODUCT-ENZYME COMPLEX NTN-HYDROLASE FAMILY GLYCOPROTEIN GLYCOSYLATION CELL SURFACE HYDROLASE
Ref.: NOVEL INSIGHTS INTO EUKARYOTIC GAMMA-GLUTAMYLTRANSP 1 FROM THE CRYSTAL STRUCTURE OF THE GLUTAMATE-BOUND ENZYME. J.BIOL.CHEM. V. 288 31902 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4GG2 - GLU C5 H9 N O4 C(CC(=O)O)....
2 4ZCG - GLU C5 H9 N O4 C(CC(=O)O)....
3 4GDX - GLU C5 H9 N O4 C(CC(=O)O)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4GG2 - GLU C5 H9 N O4 C(CC(=O)O)....
2 4ZCG - GLU C5 H9 N O4 C(CC(=O)O)....
3 4GDX - GLU C5 H9 N O4 C(CC(=O)O)....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4GG2 - GLU C5 H9 N O4 C(CC(=O)O)....
2 4ZCG - GLU C5 H9 N O4 C(CC(=O)O)....
3 4GDX - GLU C5 H9 N O4 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLU; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 GGL 1 1
2 GLU 1 1
3 DGL 1 1
4 DGN 0.62963 0.821429
5 GLN 0.62963 0.821429
6 ONL 0.586207 0.821429
7 UN1 0.566667 0.96
8 11C 0.566667 0.96
9 HCS 0.555556 0.714286
10 NPI 0.53125 0.923077
11 HGA 0.53125 0.666667
12 HSE 0.518519 0.758621
13 DAB 0.518519 0.666667
14 MEQ 0.515152 0.71875
15 3O3 0.513514 0.727273
16 NVA 0.5 0.740741
17 API 0.5 0.884615
18 DAS 0.481481 0.846154
19 ASP 0.481481 0.846154
20 TNA 0.463415 0.685714
21 DBB 0.461538 0.692308
22 ABA 0.461538 0.692308
23 DSN 0.461538 0.655172
24 SER 0.461538 0.655172
25 RGP 0.459459 0.648649
26 ORN 0.451613 0.689655
27 HOZ 0.451613 0.666667
28 AE5 0.447368 0.727273
29 DCY 0.444444 0.642857
30 C2N 0.444444 0.666667
31 CYS 0.444444 0.642857
32 NLE 0.4375 0.689655
33 2HG 0.433333 0.653846
34 S2G 0.433333 0.653846
35 ASN 0.428571 0.677419
36 26P 0.428571 0.857143
37 3GC 0.425 0.705882
38 DLY 0.424242 0.666667
39 MED 0.424242 0.625
40 MET 0.424242 0.625
41 MSE 0.424242 0.606061
42 BIX 0.418605 0.631579
43 MF3 0.416667 0.625
44 CBH 0.414634 0.774194
45 DHH 0.411765 0.851852
46 LYS 0.411765 0.645161
47 SHR 0.409091 0.774194
48 2NP 0.405405 0.71875
49 AS2 0.4 0.84
50 5OY 0.4 0.648649
51 ONH 0.4 0.611111
52 2JJ 0.4 0.648649
53 LEU 0.4 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4GDX; Ligand: GLU; Similar sites found with APoc: 110
This union binding pocket(no: 1) in the query (biounit: 4gdx.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3MD0 GDP 2.05128
2 3P4X ADP 2.13904
3 4KGM ATP 3.07692
4 1UJ5 5RP 3.0837
5 5H7K GDP 3.20856
6 5NUF NAD 3.31325
7 1QXO FMN 3.35052
8 4YIW NCD 3.47594
9 4J0Q GDP 3.58974
10 1PUJ GNP 3.58974
11 3LU1 NAD 3.58974
12 4YNM SAM 3.9823
13 1EZ0 NAP 4.01069
14 4LC1 GDP 4.10256
15 2ZKJ ADP 4.10256
16 4B9Q ATP 4.10256
17 5DI3 GNP 4.32432
18 3WBZ ATP 4.42804
19 5L13 6ZE 4.61538
20 5W76 GDP 4.61538
21 2DXU BT5 4.68085
22 1WPY BTN 4.68085
23 3WYA GDP 4.81283
24 2Z3Y F2N 4.81283
25 1F6B GDP 5.05051
26 5W7Q GDP 5.12821
27 3TK1 GDP 5.12821
28 4L1F FAD 5.12821
29 4GCZ ADP 5.19481
30 4R98 GNH 5.53506
31 3N5C GDP 5.55556
32 2WIC GNP 5.61798
33 4X1T UDP 5.64103
34 5UXH GFB 5.72207
35 5M67 3D1 5.88235
36 5M67 NAD 5.88235
37 3EFS BTN 6.00858
38 2DJH 3PD UM3 6.08696
39 1HXD BTN 6.15385
40 1DAR GDP 6.15385
41 6BA2 7KM 6.44068
42 1QSM ACO 6.57895
43 1W7J ADP BEF 6.62252
44 4DQ2 BTX 6.66667
45 4MIG G3F 6.66667
46 2WUF KEM 6.66667
47 1UP7 G6P 6.66667
48 4GOJ GNP 6.87831
49 2R3A SAM 7.17949
50 6ES9 FAD 7.17949
51 1FZQ GDP 7.18232
52 4RD0 GDP 7.21925
53 5W75 GDP 7.69231
54 5X8G S0N 7.69231
55 6DEF GCP 7.69231
56 5V22 SAH 7.74411
57 3HB5 E2B 7.95107
58 3RZ3 U94 8.19672
59 1KK1 GNP 8.20513
60 4FMU 0UM 8.27338
61 4I54 1C1 8.49858
62 2QN6 GDP 8.60215
63 6C9B EGV 8.82353
64 3ZNN FAD 9.23077
65 3ZNN 4WL 9.23077
66 2BVN GNP 9.23077
67 5EY9 5SV 9.23077
68 5JBQ GDP 9.23077
69 1D8T GDP 9.23077
70 4G5G GDP 9.23077
71 4P3Y GDP 9.23077
72 3U6B GDP 9.23077
73 2HCJ GDP 9.23077
74 3U6K GDP 9.23077
75 4PC3 GDP 9.23077
76 1JQI FAD 9.27835
77 5H7J GCP 9.35829
78 5N69 2OW 9.54774
79 4XTX 590 9.74359
80 3AB3 GDP 9.74359
81 5KY5 GDP 9.74359
82 5KY4 GDP 9.74359
83 5KXQ GDP 9.74359
84 5O74 GDP 10
85 1OFD FMN 10.4278
86 1OFD AKG 10.4278
87 1G27 BB1 10.7143
88 4I53 1C1 10.7692
89 2OKL BB2 10.8108
90 2C77 GNP 11.2821
91 2C78 GNP 11.2821
92 3KO8 NAD 11.2821
93 6DNT NAD 11.2821
94 6AU6 GDP 11.2821
95 4J56 FAD 11.4035
96 1D2E GDP 11.4973
97 3T1O GDP 11.6162
98 1G7S GDP 13.1016
99 1BH2 GSP 13.3333
100 5Y6Q FAD 13.5802
101 3IWK NAD 13.8462
102 3RHJ NAP 15.3846
103 6A5K SAM 15.3846
104 2VB6 ADP BEF 16.3102
105 4ZI2 GNP 17.2932
106 3NZW BOC TY5 ALA RE0 ABN 17.6744
107 3WY9 GDP 18.75
108 3EC1 GDP 18.9744
109 5KY9 GDP 27.5
110 5JLB SAH 28.5714
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