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 (3)
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 5IJZ - AKG C5 H6 O5 C(CC(=O)O)....
3 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 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 : 1BGV; Ligand: GLU; Similar sites found: 206
This union binding pocket(no: 1) in the query (biounit: 1bgv.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4G1V FAD 0.000001913 0.49813 1.50376
2 3O9P MHI 0.00002918 0.44561 1.55902
3 4KCF AKM 0.00009621 0.41943 1.55902
4 1YBH FAD 0.0007096 0.41796 1.55902
5 1YBH P22 0.00002991 0.40622 1.55902
6 3LL5 ADP 0.01311 0.43628 1.60643
7 1KY8 NAP 0.0002065 0.43601 1.78174
8 4B63 ORN 0.005017 0.40831 1.78174
9 4B63 FAD 0.005017 0.40831 1.78174
10 4B63 NAP 0.00528 0.40831 1.78174
11 2YYJ 4HP 0.001503 0.40617 1.78174
12 2YYJ FAD 0.001503 0.40617 1.78174
13 4LCQ URQ 0.00001772 0.40312 1.78174
14 1G41 ADP 0.0000005777 0.48324 1.8018
15 2OWZ F6P 0.00007063 0.41148 1.80723
16 1GSA ADP 0.00002408 0.43317 1.89873
17 1GSA GSH 0.0000306 0.42327 1.89873
18 3UC5 ATP 0.00000004664 0.51649 1.91083
19 3Q2I HP7 0.0001211 0.42595 1.9774
20 3GF4 FAD 0.04785 0.41901 2.05128
21 1LDM NAD 0.0000561 0.43687 2.12766
22 1I9G SAM 0.00003414 0.42691 2.14286
23 3FPZ AHZ 0.0000139 0.46354 2.14724
24 4CMF PXG 0.0001003 0.41895 2.17391
25 2RDT FMN 0.0002152 0.41392 2.32558
26 2P2V CSF 0.0001413 0.41501 2.43056
27 1V8K ANP 0.000006549 0.42416 2.43902
28 3BW2 FMN 0.0257 0.41555 2.43902
29 3QVL 5HY 0.000006545 0.45153 2.44898
30 3VGL ANP 0.0000194 0.42256 2.49221
31 3VGL BGC 0.00000322 0.42192 2.49221
32 1PEA ACM 0.03244 0.42169 2.5974
33 2GN4 NDP 0.003778 0.41942 2.61628
34 2GN4 UD1 0.00609 0.41399 2.61628
35 3RO7 TDR 0.00000946 0.47751 2.64151
36 2QTR NXX 0.0424 0.40406 2.6455
37 4A8T PAO 0.0000397 0.4393 2.65487
38 1N4W FAD 0.01025 0.45012 2.67261
39 4OYA 1VE 0.001518 0.41347 2.67261
40 3PHQ KDO 0.00007377 0.61115 2.7027
41 1GR0 NAD 0.0002943 0.42272 2.7248
42 3MB5 SAM 0.00002998 0.43286 2.7451
43 3JQ9 NAP 0.04135 0.40496 2.77778
44 3JQ8 NAP 0.04724 0.40156 2.77778
45 4QN6 LNV 0.0000537 0.41109 2.8133
46 1B8O IMH 0.02933 0.40689 2.8169
47 1A5Z NAD 0.00001738 0.43689 2.82132
48 4C25 13P 0.00001057 0.41171 2.83019
49 1ZFJ IMP 0.000007381 0.48136 2.89532
50 4IVG ANP 0.0002095 0.41047 2.89532
51 4U36 TNR 0.000006222 0.4067 2.91667
52 1JA9 NDP 0.00007849 0.43603 2.91971
53 1JA9 PYQ 0.00001319 0.40776 2.91971
54 4HPP GLU 0.000001335 0.44804 2.93454
55 3NOJ PYR 0.00000003559 0.45136 2.94118
56 1F8F NAD 0.00008413 0.42492 2.96496
57 2P8B NSK 0.00007761 0.45541 2.98103
58 1XP8 AGS 0.000002224 0.45647 3.00546
59 3K37 BCZ 0.0002532 0.42594 3.02267
60 1WVC CTP 0.00001288 0.46743 3.0888
61 1XMV ADP 0.000009268 0.44751 3.08989
62 3O84 HTJ 0.017 0.41806 3.11804
63 3FSJ D7K 0.0006674 0.40989 3.11804
64 4I3V NAD 0.04727 0.40619 3.11804
65 1HV9 UD1 0.0002536 0.40317 3.11804
66 1TV5 ORO 0.001875 0.4311 3.16027
67 1TV5 A26 0.001406 0.41843 3.16027
68 2RHW C0E 0.000278 0.416 3.18021
69 4GUT FAD 0.02187 0.43371 3.22581
70 4GUS FAD 0.02413 0.42969 3.22581
71 1GXU 2HP 0.00000004983 0.43633 3.2967
72 1PN0 FAD 0.03354 0.42397 3.34076
73 1PN0 IPH 0.03457 0.42397 3.34076
74 3DJL FAD 0.001071 0.40924 3.34076
75 2BLE 5GP 0.00005861 0.43287 3.54223
76 3SUC ATP 0.0000232 0.4223 3.56347
77 3EYA TDP 0.03048 0.40542 3.64299
78 1SAZ ACP 0.0003341 0.42249 3.67454
79 1JH7 UVC 0.00000365 0.44245 3.7037
80 4FUA PGH 0.00001503 0.40103 3.72093
81 3R96 AMP 0.03741 0.41446 3.7234
82 3C2O NTM 0.0001251 0.44243 3.7415
83 2R09 4IP 0.01287 0.40347 3.7464
84 1LTH NAD 0.00009557 0.42151 3.76176
85 1ME8 RVP 0.0002902 0.42556 3.78619
86 2NLI LAC 0.00001591 0.44016 3.80435
87 2NLI FMN 0.00001591 0.44016 3.80435
88 2JEN GLC GLC XYS XYS 0.00007141 0.41743 3.83142
89 1YBQ BDH 0.00005556 0.4074 3.84615
90 1AL8 DHP 0.000229 0.41991 3.89972
91 1AL8 FMN 0.0003561 0.40436 3.89972
92 3M0J OAF 0.000003441 0.4283 3.90879
93 3V91 UPG 0.00009558 0.41743 4.00891
94 2R0N TGC 0.004928 0.40563 4.06091
95 1QCA FUA 0.0003737 0.41477 4.22535
96 4NCN GTP 0.02957 0.40282 4.23163
97 1SR7 MOF 0.04614 0.40211 4.2471
98 4IZC 1GZ 0.03108 0.41349 4.36364
99 4M6T SAM 0.0001218 0.40423 4.37158
100 3VBK 0FX 0.04174 0.41783 4.39024
101 2IMP NAI 0.001966 0.40164 4.45434
102 2ET1 GLV 0.000005367 0.43825 4.47761
103 2R0D 4IP 0.016 0.40128 4.61095
104 1Q3Q ANP 0.00004563 0.434 4.67706
105 2R7K ACP 0.00006889 0.45189 4.70914
106 2R7K AMZ 0.00006889 0.45189 4.70914
107 1DRV A3D 0.0001426 0.41287 4.7619
108 1ZK4 NAP 0.002145 0.40055 4.78088
109 1ZK4 AC0 0.002145 0.40055 4.78088
110 1G8S MET 0.02225 0.41912 4.78261
111 2HMT NAI 0.0003534 0.40251 4.86111
112 4HE2 AMP 0.00003277 0.40559 5.02959
113 1D7O TCL 0.001896 0.40325 5.05051
114 1D7O NAD 0.001896 0.40325 5.05051
115 2QA1 FAD 0.02261 0.42257 5.12249
116 1SS4 GSH 0.01585 0.46837 5.22876
117 2Q6K ADN 0.0000002337 0.50998 5.30035
118 1GTE FMN 0.04477 0.40577 5.34521
119 1JQ5 NAD 0.00002096 0.48104 5.40541
120 4TSK NDP 0.0004178 0.40786 5.42857
121 1I2B USQ 0.000394 0.43962 5.69307
122 1I2B NAD 0.000394 0.43962 5.69307
123 1I2B UPG 0.000394 0.43962 5.69307
124 4JTA NAP 0.0001161 0.43276 5.70571
125 1B8U OAA 0.0318 0.41302 5.77508
126 1YNH SUO 0.03244 0.40341 5.79065
127 3EAU PDN 0.0006643 0.41521 5.8104
128 3EAU NDP 0.0006643 0.41521 5.8104
129 1KW6 BPY 0.00008036 0.43086 5.82192
130 2GJ3 FAD 0.000001563 0.48917 5.83333
131 1J2Z SOG 0.0001396 0.40989 5.92593
132 1Z34 2FD 0.0000727 0.42368 5.95745
133 1RP0 AHZ 0.0002059 0.42425 5.98592
134 1E8G FAD 0.0001132 0.4449 6.01336
135 1E8G FCR 0.0001032 0.4449 6.01336
136 1COY AND 0.02715 0.43531 6.01336
137 1COY FAD 0.0177 0.43531 6.01336
138 1QFY NAP 0.03815 0.41216 6.16883
139 2X61 CH 0.000004748 0.44107 6.20155
140 2X61 NGA GAL SIA 0.00007793 0.42768 6.20155
141 1G6O ADP 0.0000006095 0.48261 6.36364
142 3MMR ABH 0.000007175 0.45374 6.53753
143 1VDC FAD 0.02069 0.43673 6.60661
144 1RSD PSB 0.0009582 0.43937 6.61157
145 1NVU GTP 0.000006051 0.45574 6.62651
146 1NVV GNP 0.0002529 0.41203 6.62651
147 2PP3 LGT 0.00005524 0.44486 6.78392
148 2BGM NAJ 0.0003499 0.40996 6.83453
149 1EDO NAP 0.00003631 0.44544 6.96721
150 2BNE U5P 0.02115 0.40934 7.05394
151 4LTN NAI 0.00002716 0.4318 7.1066
152 4LTN FMN 0.00002054 0.43023 7.1066
153 3PNL ADP 0.03096 0.40099 7.28291
154 1DB1 VDX 0.01414 0.43164 7.33591
155 1RM4 NDP 0.0003084 0.41313 7.4184
156 1CR1 TTP 0.0000003219 0.50315 7.43243
157 3K9W ADE 0.0002039 0.43789 7.48663
158 3K9W 4PS 0.0002039 0.43789 7.48663
159 1DXY NAD 0.0000000175 0.55615 7.50751
160 1DXY COI 0.000003204 0.40957 7.50751
161 1W55 C 0.0001336 0.41361 7.54717
162 1K97 ASP 0.000759 0.41476 7.57238
163 1K97 CIR 0.000759 0.41476 7.57238
164 3OIG NAD 0.0001472 0.42192 7.89474
165 3OIG IMJ 0.00005508 0.40394 7.89474
166 2QHS OCA 0.008013 0.41683 8.01688
167 1BDB NAD 0.000003822 0.47469 8.30325
168 3S9K CIT 0.0361 0.45115 8.47458
169 4DA6 GA2 0.0000001345 0.5003 8.69565
170 4KAX 4IP 0.01374 0.402 8.69565
171 4Q0P 0MK 0.001286 0.41361 8.84615
172 1O6B ADP 0.00007365 0.41709 8.87574
173 1GS5 NLG 0.04758 0.40327 8.91473
174 4TMK T5A 0.000007081 0.48866 8.92019
175 2QHV OC9 0.01097 0.40671 9.04762
176 2GAG FOA 0.03228 0.42275 9.1314
177 2NCD ADP 0.02474 0.41209 9.7619
178 1JOT GAL A2G 0.002432 0.43178 9.77444
179 2PN6 GLN 0.000001159 0.48935 10
180 1WKL ATP 0.00003871 0.43097 10.219
181 1WKL ADP 0.00003916 0.42054 10.219
182 3D2M COA 0.0000061 0.48513 10.6904
183 2FWP CIT 0.00002417 0.40806 10.929
184 4AF0 IMP 0.000005731 0.44956 11.1359
185 1X1T NAD 0.0001046 0.43403 11.1538
186 1VQ2 DDN 0.000003866 0.46719 11.399
187 1L3I SAH 0.03224 0.40552 11.9792
188 2C9O ADP 0.0000008056 0.49195 12.0267
189 4N02 FNR 0.00002081 0.43921 12.0448
190 3ZZS TRP 0.00008757 0.40269 12.3077
191 1OD6 PNS 0.0005031 0.40131 13.125
192 1EXB NDP 0.0005523 0.41359 13.5922
193 1FHX 4IP 0.01085 0.40733 14.7287
194 1T26 GBD 0.0003788 0.42936 14.9068
195 1T26 NAI 0.0003788 0.42936 14.9068
196 1KUJ MMA 0.003239 0.4343 16.6667
197 1SAY PYR 0.000001763 0.51062 18.2825
198 1OFH ADP 0.0000006556 0.48518 22.4138
199 4GQB 0XU 0.00009724 0.4213 22.7273
200 2XD9 XD9 0.007826 0.40292 29.9401
201 1BXG HCI 0.00000002142 0.69837 30.8989
202 1BW9 PPY 0.000000004301 0.60208 30.8989
203 1C1D PHE 0.000000003819 0.73582 30.9859
204 1C1X HFA 0.000000004883 0.6198 30.9859
205 3KPE TM3 0.03867 0.40745 33.3333
206 3ETG GLU 0.000000005427 0.81825 44.9889
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