Receptor
PDB id Resolution Class Description Source Keywords
4A91 1.75 Å EC: 6.1.1.- CRYSTAL STRUCTURE OF THE GLUTAMYL-QUEUOSINE TRNAASP SYNTHETA COLI COMPLEXED WITH L-GLUTAMATE ESCHERICHIA COLI LIGASE
Ref.: CRYSTAL STRUCTURE OF GLUTAMYL-QUEUOSINE TRNAASP SYN COMPLEXED WITH L-GLUTAMATE: STRUCTURAL ELEMENTS MED TRNA-INDEPENDENT ACTIVATION OF GLUTAMATE AND GLUTAM OF TRNAASP ANTICODON. J.MOL.BIOL. V. 381 1224 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLU A:301;
Valid;
none;
Kd = 2.1 mM
147.129 C5 H9 N O4 C(CC(...
ZN A:1295;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4A91 1.75 Å EC: 6.1.1.- CRYSTAL STRUCTURE OF THE GLUTAMYL-QUEUOSINE TRNAASP SYNTHETA COLI COMPLEXED WITH L-GLUTAMATE ESCHERICHIA COLI LIGASE
Ref.: CRYSTAL STRUCTURE OF GLUTAMYL-QUEUOSINE TRNAASP SYN COMPLEXED WITH L-GLUTAMATE: STRUCTURAL ELEMENTS MED TRNA-INDEPENDENT ACTIVATION OF GLUTAMATE AND GLUTAM OF TRNAASP ANTICODON. J.MOL.BIOL. V. 381 1224 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4A91 Kd = 2.1 mM GLU C5 H9 N O4 C(CC(=O)O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4A91 Kd = 2.1 mM GLU C5 H9 N O4 C(CC(=O)O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4A91 Kd = 2.1 mM 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 : 4A91; Ligand: GLU; Similar sites found: 110
This union binding pocket(no: 1) in the query (biounit: 4a91.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3IS2 FAD 0.01826 0.40063 None
2 3K87 FAD 0.01925 0.42356 1.08108
3 1Z83 AP5 0.03182 0.41723 1.53061
4 4WQM FAD 0.01008 0.41718 1.67785
5 1LDN NAD 0.02085 0.41443 2.01342
6 5LRT ADP 0.02379 0.40606 2.01342
7 2WEI VGG 0.01894 0.40472 2.01342
8 4BG4 ADP 0.03921 0.40111 2.01342
9 2CSN CKI 0.01131 0.42449 2.0202
10 2G37 FAD 0.002873 0.45911 2.34899
11 3UR0 SVR 0.02121 0.43327 2.34899
12 4AVB ACO 0.02408 0.4061 2.34899
13 4TS1 TYR 0.006874 0.40502 2.34899
14 4ZTE 4RL 0.008127 0.41033 2.36967
15 5MJA 7O3 0.01692 0.41128 2.62295
16 4NMC FAD 0.006701 0.45407 2.68456
17 4NMC 2OP 0.006442 0.45407 2.68456
18 4TQ3 GPP 0.004141 0.43105 2.68456
19 3DMH SAM 0.02514 0.41962 2.68456
20 2VAR KDF 0.007274 0.40685 2.68456
21 2RCU BUJ 0.04373 0.40468 2.68456
22 2VAR KDG 0.008305 0.4039 2.68456
23 4H6Q TFB 0.004151 0.45617 3.02013
24 4H6Q FAD 0.003873 0.45538 3.02013
25 2CYB TYR 0.0006093 0.44376 3.02013
26 1VA6 P2S 0.03629 0.40369 3.02013
27 1VA6 ADP 0.03237 0.40369 3.02013
28 2APC UDM 0.03241 0.40354 3.02013
29 3QXV MTX 0.01653 0.40676 3.1746
30 2PID YSA 0.004271 0.43537 3.3557
31 3LST SAH 0.00682 0.42208 3.3557
32 1GCK ASP PLP 0.009619 0.41921 3.3557
33 1EWF PC1 0.03815 0.41095 3.3557
34 3JQ3 ADP 0.01993 0.40936 3.3557
35 3BW2 FMN 0.04192 0.40414 3.3557
36 4J5R A1R 0.01905 0.41631 3.42466
37 2YAJ 4HP 0.006557 0.42025 3.48837
38 3NEM AMO 0.02996 0.41153 3.69128
39 3NKS FAD 0.03321 0.40922 3.69128
40 3UH0 TSB 0.03629 0.40771 3.69128
41 4OUC 5ID 0.005946 0.4098 3.92157
42 1PFY MSP 0.00006113 0.52752 4.02685
43 2GOU FMN 0.007078 0.43894 4.02685
44 2HSA FMN 0.01144 0.41903 4.02685
45 4RJK TPP 0.02946 0.40203 4.02685
46 3OJO NAD 0.0224 0.40116 4.02685
47 4CYI ATP 0.003537 0.44939 4.36242
48 1Q11 TYE 0.001626 0.41379 4.36242
49 4CNK FAD 0.01897 0.41293 4.36242
50 4I53 1C1 0.01806 0.4067 4.36242
51 4XDZ NDP 0.02756 0.40113 4.36242
52 2PV7 NAD 0.02986 0.40037 4.36242
53 4K30 NLG 0.01726 0.40081 4.375
54 1H3F TYE 0.004413 0.41251 4.39815
55 5KF6 FAD 0.0104 0.43194 4.69799
56 5KF6 TFB 0.0104 0.43194 4.69799
57 4J75 TYM 0.008088 0.42812 4.69799
58 1OYB HBA 0.01492 0.40825 4.69799
59 2OYS FMN 0.03973 0.40573 4.95868
60 3ZIU LSS 0.0005338 0.49348 5.03356
61 1P7T ACO 0.004867 0.44945 5.03356
62 2CYC TYR 0.001129 0.4473 5.03356
63 4QNW FMN 0.03444 0.40781 5.03356
64 2WN6 NDP 0.02659 0.40602 5.03356
65 1I0S FMN 0.01051 0.41807 5.32544
66 2EQA AMP 0.004946 0.44245 5.36913
67 4I54 1C1 0.02069 0.4123 5.36913
68 3C8Z 5CA 0.00002765 0.54702 5.7047
69 2V0C LEU LMS 0.0001103 0.53822 5.7047
70 4N02 FNR 0.01257 0.41527 5.7047
71 4Z9D NAD 0.001362 0.44683 5.71429
72 1JZS MRC 0.002267 0.44486 6.04027
73 4V3C C 0.004712 0.43087 6.04027
74 4O8A FAD 0.01125 0.42652 6.04027
75 1TIW TFB 0.01485 0.42457 6.31229
76 1TIW FAD 0.01485 0.42457 6.31229
77 5MY8 RXZ 0.01387 0.41365 6.37584
78 3QX9 ATP 0.004226 0.42298 6.52174
79 2R14 TXD 0.01071 0.42282 6.71141
80 2A5F NAD 0.01582 0.401 6.85714
81 5EYP GDP 0.01616 0.42871 7.10059
82 4KOT CE3 0.04159 0.42262 7.40741
83 2CND FAD 0.03188 0.42049 7.40741
84 2FHJ H4Z 0.02121 0.41274 7.43243
85 4L9Z OXL 0.006785 0.45477 7.71812
86 4L9Z COA 0.007114 0.45477 7.71812
87 4XJ7 ADN 0.006444 0.41464 8.2397
88 1N9L FMN 0.004477 0.43256 8.25688
89 3KFL ME8 0.00008724 0.52146 8.38926
90 3G89 SAM 0.01331 0.42529 8.43373
91 4NG2 OHN 0.019 0.40953 8.69565
92 4DVR 0LY 0.008348 0.42201 8.72483
93 3ZW2 NAG GAL FUC 0.001858 0.43572 9.1954
94 3IX8 TX3 0.004343 0.43693 9.24856
95 4PTN PYR 0.01154 0.40168 9.39597
96 3LCV SAM 0.01882 0.41735 9.60854
97 2Q3O FMN 0.002709 0.45804 10.0671
98 2PK3 GDD 0.01561 0.42898 10.7383
99 4QYN RTL 0.007226 0.41608 11.2782
100 2PR5 FMN 0.005687 0.41151 11.3636
101 3OYZ ACO 0.008209 0.42771 12.0805
102 2X1L MET 0.00004533 0.46093 12.4161
103 4NRT 2NG 0.003163 0.43493 14.7651
104 5V49 MET 0.0001731 0.48203 15.7718
105 5V49 8WA 0.003182 0.45592 15.7718
106 1OPB RET 0.01195 0.41861 16.4179
107 1PVC ILE SER GLU VAL 0.001399 0.41812 19.1176
108 3AFH GSU 0.00000000437 0.79903 46.3087
109 1J09 GLU 0.000000002217 0.79961 49.6644
110 1J09 ATP 0.00000004155 0.72923 49.6644
Feedback