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Receptor
PDB id Resolution Class Description Source Keywords
1BGV 1.9 Å EC: 1.4.1.2 GLUTAMATE DEHYDROGENASE CLOSTRIDIUM SYMBIOSUM OXIDOREDUCTASE
Ref.: CONFORMATIONAL FLEXIBILITY IN GLUTAMATE DEHYDROGENA OF WATER IN SUBSTRATE RECOGNITION AND CATALYSIS. J.MOL.BIOL. V. 234 1131 1993
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLU A:501;
Valid;
none;
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147.129 C5 H9 N O4 C(CC(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1BGV 1.9 Å EC: 1.4.1.2 GLUTAMATE DEHYDROGENASE CLOSTRIDIUM SYMBIOSUM OXIDOREDUCTASE
Ref.: CONFORMATIONAL FLEXIBILITY IN GLUTAMATE DEHYDROGENA OF WATER IN SUBSTRATE RECOGNITION AND CATALYSIS. J.MOL.BIOL. V. 234 1131 1993
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1BGV - 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 1BGV - GLU C5 H9 N O4 C(CC(=O)O)....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1BGV - GLU C5 H9 N O4 C(CC(=O)O)....
2 5XW0 - 8G0 C8 H6 O4 c1cc(cc(c1....
3 5XWC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 5XVX - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
5 5XVV - AKG C5 H6 O5 C(CC(=O)O)....
6 5IJZ - AKG C5 H6 O5 C(CC(=O)O)....
7 5GUD - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
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 : 1BGV; 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: 1bgv.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1BGV; Ligand: GLU; Similar sites found with APoc: 110
This union binding pocket(no: 2) in the query (biounit: 1bgv.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5EB4 FAD 1.3363
2 3LL5 ADP 1.60643
3 1EGD FAD 1.76768
4 2QE0 NAP 1.78174
5 3X0V FAD 1.78174
6 6APL C5P 1.87166
7 1T90 NAD 2.00445
8 3GF4 FAD 2.05128
9 3GF4 UPG 2.05128
10 5J6A P46 2.25
11 3MKH FAD 2.28311
12 5DUS APR 2.38095
13 6B5G CQY 2.44989
14 3ZPG 5GP 2.6178
15 2QTR NXX 2.6455
16 5CSS G3P 2.65487
17 3JQ9 NAP 2.77778
18 3JQ8 NAP 2.77778
19 3BMO NAP 2.77778
20 3JQF NAP 2.77778
21 1B8O IMH 2.8169
22 5BRT CH9 2.89532
23 5BRT FAD 2.89532
24 4I4Z 2NE 2.90909
25 6F9Q NAD 2.94118
26 4D7E FAD 3.0303
27 4UTW RFW 3.05677
28 5NMX NAP 3.05882
29 3O84 HTJ 3.11804
30 4I3V NAD 3.11804
31 1TV5 FMN 3.16027
32 3NC9 TR3 3.19489
33 4GUT FAD 3.22581
34 4GUS FAD 3.22581
35 1PN0 IPH 3.34076
36 1PN0 FAD 3.34076
37 1H5T DAU 3.41297
38 4Q5M ROC 3.44828
39 5KF6 NAD 3.56347
40 3EYA TDP 3.64299
41 5U3B 7TD 3.67893
42 3R96 ACO 3.7234
43 3R96 AMP 3.7234
44 2R09 4IP 3.7464
45 1LVG 5GP 4.0404
46 1IZC PYR 4.12979
47 4NCN GTP 4.23163
48 1SR7 MOF 4.2471
49 4IZC 1GZ 4.36364
50 3VBK 0FX 4.39024
51 3VBK COA 4.39024
52 6H3O FAD 4.45434
53 2WOX NDP 4.45434
54 2WME NAP 4.45434
55 5JKG 6LF 4.50161
56 6DEF GCP 4.60358
57 2R0D 4IP 4.61095
58 4ZUL UN1 4.67706
59 5X1M THG 4.89978
60 5X1M DHB 4.89978
61 2QA1 FAD 5.12249
62 5TUK FAD 5.14706
63 3VRV YSD 5.16605
64 4LH0 GLV 5.34521
65 1GTE FMN 5.34521
66 1GTE IUR 5.34521
67 1B8U OAA 5.77508
68 1YNH SUO 5.79065
69 1COY AND 6.01336
70 1COY FAD 6.01336
71 1ZGS XMM 6.04027
72 6AMI TRP 6.06061
73 2A0W DIH 6.22837
74 1VDC FAD 6.60661
75 5M3E APR 6.66667
76 1TOQ AMG 6.76692
77 1M26 GAL A2G 6.76692
78 2BNE U5P 7.05394
79 1S7G APR 7.11462
80 3PNL ADP 7.28291
81 1DB1 VDX 7.33591
82 3WGT QSC 7.4928
83 2QHS OCA 8.01688
84 4KAX 4IP 8.69565
85 1GS5 ANP 8.91473
86 1GS5 NLG 8.91473
87 2QHV OC9 9.04762
88 2GAG FOA 9.1314
89 5HQ0 LZ9 9.27152
90 1JOT GAL A2G 9.77444
91 1ORR NAD 10.951
92 4ONC 40B 11.2676
93 1L3I SAH 11.9792
94 4JE7 BB2 12.1827
95 1FHX 4IP 14.7287
96 1UGW GAL 15
97 1WS5 MMA 15
98 1WS4 GYP 15
99 1UGY GLA BGC 15
100 5O3Q CMP 15
101 1KUJ MMA 16.6667
102 4XB2 HSE 16.7164
103 2ZFZ ARG 21.519
104 1BW9 PPY 30.8989
105 1BXG HCI 30.8989
106 1C1X HFA 30.9859
107 1C1D PHE 30.9859
108 1JAC AMG 40
109 3ETG GLU 44.9889
110 3ETG NDP 44.9889
Pocket No.: 3; Query (leader) PDB : 1BGV; 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: 1bgv.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1BGV; 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: 1bgv.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1BGV; 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: 1bgv.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1BGV; 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: 1bgv.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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