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 GLU 1 1
2 DGL 1 1
3 GGL 1 1
4 GLN 0.62963 0.821429
5 DGN 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 HGA 0.53125 0.666667
11 NPI 0.53125 0.923077
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 API 0.5 0.884615
17 NVA 0.5 0.740741
18 ASP 0.481481 0.846154
19 DAS 0.481481 0.846154
20 TNA 0.463415 0.685714
21 ABA 0.461538 0.692308
22 DSN 0.461538 0.655172
23 DBB 0.461538 0.692308
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 CYS 0.444444 0.642857
31 C2N 0.444444 0.666667
32 NLE 0.4375 0.689655
33 S2G 0.433333 0.653846
34 2HG 0.433333 0.653846
35 ASN 0.428571 0.677419
36 26P 0.428571 0.857143
37 3GC 0.425 0.705882
38 MET 0.424242 0.625
39 MSE 0.424242 0.606061
40 DLY 0.424242 0.666667
41 MED 0.424242 0.625
42 BIX 0.418605 0.631579
43 MF3 0.416667 0.625
44 CBH 0.414634 0.774194
45 LYS 0.411765 0.645161
46 DHH 0.411765 0.851852
47 SHR 0.409091 0.774194
48 2NP 0.405405 0.71875
49 LEU 0.4 0.642857
50 5OY 0.4 0.648649
51 AS2 0.4 0.84
52 2JJ 0.4 0.648649
53 ONH 0.4 0.611111
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4GDX; Ligand: GLU; Similar sites found: 72
This union binding pocket(no: 1) in the query (biounit: 4gdx.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3P4X ADP 0.0136 0.40409 2.13904
2 1UJ5 5RP 0.01436 0.40447 3.0837
3 4YIW NCD 0.009419 0.4051 3.47594
4 4J0Q GDP 0.006046 0.42646 3.58974
5 1PUJ GNP 0.01185 0.41845 3.58974
6 4YNM SAM 0.004973 0.43916 3.9823
7 1EZ0 NAP 0.03876 0.40791 4.01069
8 4LC1 GDP 0.01096 0.41479 4.10256
9 2ZKJ ADP 0.04577 0.40525 4.10256
10 4B9Q ATP 0.03283 0.40114 4.10256
11 3WBZ ATP 0.02483 0.40228 4.42804
12 5L13 6ZE 0.02943 0.42765 4.61538
13 3WYA GDP 0.01124 0.41345 4.81283
14 2Z3Y F2N 0.04832 0.40512 4.81283
15 3TK1 GDP 0.003961 0.43237 5.12821
16 4GCZ ADP 0.01638 0.40683 5.19481
17 4R98 GNH 0.01837 0.40387 5.53506
18 3N5C GDP 0.02043 0.40011 5.55556
19 2WIC GNP 0.01625 0.40776 5.61798
20 4X1T UDP 0.02264 0.40373 5.64103
21 3EFS BTN 0.00799 0.42892 6.00858
22 2DJH 3PD UM3 0.02648 0.40061 6.08696
23 1HXD BTN 0.01152 0.42284 6.15385
24 1DAR GDP 0.00987 0.4152 6.15385
25 1QSM ACO 0.03135 0.40398 6.57895
26 4MIG G3F 0.0495 0.41604 6.66667
27 4GOJ GNP 0.01195 0.42639 6.87831
28 3OOI SAM 0.01168 0.42114 6.89655
29 2R3A SAM 0.005712 0.43717 7.17949
30 1FZQ GDP 0.005104 0.43201 7.18232
31 4RD0 GDP 0.008535 0.43452 7.21925
32 5V22 SAH 0.006697 0.43494 7.74411
33 3RZ3 U94 0.01851 0.40568 8.19672
34 1KK1 GNP 0.00289 0.44306 8.20513
35 4FMU 0UM 0.007254 0.43811 8.27338
36 4I54 1C1 0.02024 0.41932 8.49858
37 2QN6 GDP 0.005973 0.42497 8.60215
38 5DJ3 5DK 0.01378 0.41652 8.82353
39 3A0T ADP 0.01623 0.41346 9.21053
40 3ZNN 4WL 0.01105 0.45556 9.23077
41 3ZNN FAD 0.01105 0.45556 9.23077
42 2BVN GNP 0.004683 0.44189 9.23077
43 5EY9 5SV 0.008788 0.44006 9.23077
44 5JBQ GDP 0.003846 0.43899 9.23077
45 1D8T GDP 0.004219 0.4367 9.23077
46 4G5G GDP 0.004522 0.43481 9.23077
47 4P3Y GDP 0.004395 0.43275 9.23077
48 2HCJ GDP 0.004985 0.42959 9.23077
49 3U6K GDP 0.006912 0.42457 9.23077
50 4PC3 GDP 0.01352 0.41639 9.23077
51 4XTX 590 0.01815 0.42449 9.74359
52 3AB3 GDP 0.01989 0.41056 9.74359
53 5KY4 GDP 0.01559 0.40534 9.74359
54 5KXQ GDP 0.01776 0.4042 9.74359
55 1AZT GSP 0.03959 0.40401 9.74359
56 1OFD FMN 0.03363 0.41447 10.4278
57 1OFD AKG 0.03095 0.41447 10.4278
58 4I53 1C1 0.0189 0.40837 10.7692
59 3GBR PRP 0.04581 0.40083 10.7692
60 2OKL BB2 0.02593 0.4024 10.8108
61 2C77 GNP 0.006125 0.44144 11.2821
62 2C78 GNP 0.006856 0.44068 11.2821
63 4J56 FAD 0.02843 0.42507 11.4035
64 1D2E GDP 0.007785 0.42899 11.4973
65 3T1O GDP 0.02441 0.40116 11.6162
66 2C04 GCP 0.0207 0.40664 12.3077
67 1BH2 GSP 0.03743 0.40509 13.3333
68 2VB6 ADP BEF 0.002833 0.45966 16.3102
69 4ZI2 GNP 0.01149 0.42714 17.2932
70 3NZW BOC TY5 ALA RE0 ABN 0.02068 0.41551 17.6744
71 3EC1 GDP 0.007636 0.42594 18.9744
72 5KY9 GDP 0.02049 0.40385 27.5
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