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Receptor
PDB id Resolution Class Description Source Keywords
4HPP 2.5 Å EC: 6.3.1.11 CRYSTAL STRUCTURE OF NOVEL GLUTAMINE SYNTHASE HOMOLOG PSEUDOMONAS AERUGINOSA GLUTAMINE SYNTHASE HOMOLOG GLUTAMATE POLYAMINE LIGASE
Ref.: STRUCTURE AND ACTIVITY OF PA5508, A HEXAMERIC GLUTA SYNTHETASE HOMOLOGUE. BIOCHEMISTRY V. 51 10121 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:502;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
GLU A:503;
Valid;
none;
submit data
147.129 C5 H9 N O4 C(CC(...
MG A:501;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4HPP 2.5 Å EC: 6.3.1.11 CRYSTAL STRUCTURE OF NOVEL GLUTAMINE SYNTHASE HOMOLOG PSEUDOMONAS AERUGINOSA GLUTAMINE SYNTHASE HOMOLOG GLUTAMATE POLYAMINE LIGASE
Ref.: STRUCTURE AND ACTIVITY OF PA5508, A HEXAMERIC GLUTA SYNTHETASE HOMOLOGUE. BIOCHEMISTRY V. 51 10121 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4HPP - 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 4HPP - 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 4HPP - 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 : 4HPP; Ligand: GLU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4hpp.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4HPP; Ligand: GLU; Similar sites found with APoc: 89
This union binding pocket(no: 2) in the query (biounit: 4hpp.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3EM0 CHD None
2 1QNF HDF 1.58014
3 5JGA 6KC 1.90476
4 4WUP 3UF 1.92308
5 4HWT 1B2 1.93705
6 3LVW GSH 2.0316
7 4ZA8 FZZ 2.0316
8 4ZA8 4LU 2.0316
9 4ZA8 F5C 2.0316
10 4N49 SAM 2.0316
11 5N87 N66 2.23642
12 2CER PGI 2.25734
13 1O98 2PG 2.25734
14 6FCX FAD 2.25734
15 4GU5 FAD 2.25734
16 1ON3 MCA 2.25734
17 6CBO DOW 2.2779
18 1YBQ BDH 2.30769
19 2WK9 PLG 2.31362
20 1M2Z DEX 2.33463
21 1UWK URO 2.48307
22 1UWK NAD 2.48307
23 2BOI MFU 2.65487
24 4BHN BH9 2.69461
25 2GWD GLU 2.93454
26 4UBT 3G6 3.00752
27 5AGR A52 3.01724
28 1VQ2 DDN 3.10881
29 4P6X HCY 3.13725
30 4IZC 1GZ 3.27273
31 5KD6 LBU 3.34129
32 5KD6 6C7 3.34129
33 3DAG FEG 3.35196
34 1VA6 P2S 3.386
35 1VA6 ADP 3.386
36 5USZ SKE 3.46021
37 5KO1 6UY 3.53357
38 5LVP ATP 3.53698
39 4ZAC 4LU 3.61174
40 3ZDS OMD 3.69515
41 4I5I NAD 3.83275
42 1IXE COA 3.97878
43 3AKK ADP 4
44 2I8T GDD 4.19162
45 1NP7 FAD 4.28894
46 3TTC ADP 4.28894
47 5HZ9 5M8 4.44444
48 2JHP SAH 4.51467
49 1ZM1 BGC BGC BGC 4.56432
50 5IBP ACE ASP GLU VAL ASP 0QE 4.67626
51 1CKN GTP 4.84848
52 1W2D ADP 4.90566
53 1CT9 GLN 5.41761
54 4L6C 0BT 5.44554
55 1NMK SFM 5.45455
56 5NM7 GLY 5.6391
57 2V0C ANZ 5.64334
58 5WYF ILP 5.64334
59 4K55 H6P 5.64516
60 6CBN OZY 5.93607
61 2NNQ T4B 6.10687
62 1QY1 PRZ 6.32184
63 3UC5 ATP 6.36943
64 2TPI ILE VAL 6.89655
65 3T4L ZEA 7.03704
66 3L24 GOA 7.22348
67 6BN0 NAG NAG NAG NAG NAG NAG 7.59494
68 4HVA 4HV 7.92453
69 5EYK 5U5 8.47458
70 5D9J 0N8 8.55615
71 4L2I NAD 9.12547
72 4N02 FNR 9.2437
73 3KV8 FAH 9.35252
74 4QYN RTL 9.77444
75 1S4M LUM 9.89761
76 6C4N NAP 10.8352
77 3A5Z KAA 11.8902
78 5EH0 5NW 12.0155
79 1VDN ACE ALA ALA PRO ALA MCM 12.3457
80 5MT9 SRO 13.3333
81 4O9S 2RY 13.4884
82 4NAT ADP 15.625
83 4NAT 2W5 15.625
84 1OPB RET 17.1642
85 4C2V YJA 20.4545
86 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 21.0526
87 1DZK PRZ 22.9299
88 3ZXR IQ1 44.0181
89 3ZXR P3S 44.0181
Pocket No.: 3; Query (leader) PDB : 4HPP; Ligand: GLU; 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: 4hpp.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4HPP; Ligand: GLU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4hpp.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4HPP; Ligand: GLU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4hpp.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4HPP; Ligand: GLU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4hpp.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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