Receptor
PDB id Resolution Class Description Source Keywords
2NZU 2.5 Å NON-ENZYME: OTHER STRUCTURAL MECHANISM FOR THE FINE-TUNING OF CCPA FUNCTION BY MOLECULE EFFECTORS G6P AND FBP BACILLUS MEGATERIUM CCPA CCR HPR-SER46-P GLUCOSE-6-PHOSPHATE ADJUNCT COREPRELACI-GALR TRANSCRIPTION
Ref.: STRUCTURAL MECHANISM FOR THE FINE-TUNING OF CCPA FU THE SMALL MOLECULE EFFECTORS GLUCOSE 6-PHOSPHATE AN FRUCTOSE 1,6-BISPHOSPHATE. J.MOL.BIOL. V. 368 1042 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BG6 G:1092;
Valid;
none;
submit data
260.136 C6 H13 O9 P C([C@...
SO4 G:1093;
G:466;
G:945;
G:946;
G:966;
G:977;
G:995;
L:975;
L:978;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2NZU 2.5 Å NON-ENZYME: OTHER STRUCTURAL MECHANISM FOR THE FINE-TUNING OF CCPA FUNCTION BY MOLECULE EFFECTORS G6P AND FBP BACILLUS MEGATERIUM CCPA CCR HPR-SER46-P GLUCOSE-6-PHOSPHATE ADJUNCT COREPRELACI-GALR TRANSCRIPTION
Ref.: STRUCTURAL MECHANISM FOR THE FINE-TUNING OF CCPA FU THE SMALL MOLECULE EFFECTORS GLUCOSE 6-PHOSPHATE AN FRUCTOSE 1,6-BISPHOSPHATE. J.MOL.BIOL. V. 368 1042 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2NZU - BG6 C6 H13 O9 P C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 2NZU - BG6 C6 H13 O9 P C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 2NZU - BG6 C6 H13 O9 P C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BG6; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 M6P 1 1
2 BG6 1 1
3 G6P 1 1
4 M6D 1 1
5 BGP 1 1
6 A6P 1 1
7 RP5 0.8 0.902439
8 HSX 0.8 0.902439
9 ABF 0.8 0.902439
10 AHG 0.621622 0.795455
11 GLP 0.590909 0.829787
12 4R1 0.590909 0.829787
13 RF5 0.571429 0.8
14 50A 0.571429 0.8
15 4QY 0.55102 0.75
16 BMX 0.55102 0.75
17 16G 0.55102 0.75
18 GRF 0.547619 0.692308
19 NNG 0.530612 0.75
20 1FT 0.517857 0.847826
21 FDQ 0.511111 0.777778
22 G16 0.5 0.951219
23 PRP 0.5 0.880952
24 T6P 0.470588 0.906977
25 D6G 0.468085 0.951219
26 P3M 0.466667 0.906977
27 GLA 0.461538 0.675
28 GIV 0.461538 0.675
29 WOO 0.461538 0.675
30 GLC 0.461538 0.675
31 ALL 0.461538 0.675
32 BGC 0.461538 0.675
33 GXL 0.461538 0.675
34 GAL 0.461538 0.675
35 BMA 0.461538 0.675
36 MAN 0.461538 0.675
37 GLA BGC 0.45098 0.674419
38 BGC GLA 0.45098 0.674419
39 GLA BMA 0.45098 0.674419
40 LAK 0.45098 0.674419
41 GAL GAL 0.45098 0.674419
42 BMA GLA 0.45098 0.674419
43 MAN BMA 0.45098 0.674419
44 GLA GLC 0.45098 0.674419
45 MLB 0.45098 0.674419
46 N 0.444444 0.777778
47 PPC 0.442308 0.822222
48 GLC GLC GLC 0.433962 0.674419
49 MAN MAN MAN 0.433962 0.674419
50 GLC GLC GLC GLC BGC 0.433962 0.674419
51 GLC GLC GLC GLC GLC BGC 0.433962 0.674419
52 GLC GLC 0.423077 0.707317
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2NZU; Ligand: BG6; Similar sites found: 230
This union binding pocket(no: 1) in the query (biounit: 2nzu.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PTR PRB 0.002474 0.42817 None
2 1Y9Q MED 0.001937 0.42573 None
3 2V5E SCR 0.008894 0.4257 None
4 4DVE BTN 0.004526 0.40427 None
5 1UO4 PIH 0.02754 0.40103 None
6 3UEC ALA ARG TPO LYS 0.006876 0.40874 1.36986
7 1T3D CYS 0.00738 0.40739 1.42857
8 3KN5 ANP 0.02112 0.40056 1.78571
9 1OMZ UD2 0.01009 0.43001 2.14286
10 1WTC ACP 0.003664 0.42071 2.14286
11 3KJI ADP 0.001574 0.43007 2.3622
12 1XX4 BAM 0.001953 0.41599 2.68199
13 2W3L DRO 0.01726 0.40383 2.77778
14 1H8G CHT 0.007501 0.43875 3.15789
15 1G1T SIA GAL MAG FUC 0.006869 0.41522 3.18471
16 4USQ FAD 0.007088 0.42786 3.21429
17 2WE5 ADP 0.001765 0.42569 3.21429
18 4LIT AKG 0.004933 0.40276 3.21429
19 4DBH OXL 0.01338 0.40134 3.21429
20 4COQ SAN 0.005289 0.40738 3.23887
21 1PR9 NAP 0.01276 0.41538 3.27869
22 2JGS BTN 0.004391 0.402 3.40909
23 3UDG TMP 0.02042 0.40032 3.40909
24 2BO4 FLC 0.007023 0.40834 3.57143
25 1BTN I3P 0.001881 0.47376 3.77358
26 2B82 ADN 0.004577 0.41901 3.79147
27 4LSJ LSJ 0.004232 0.42044 3.87597
28 3VPD ANP 0.0008301 0.45009 3.92857
29 1E7S NAP 0.01075 0.41752 3.92857
30 1KHT AMP 0.002168 0.41422 4.16667
31 2PWY SAH 0.00621 0.41682 4.26357
32 1RYD GLC 0.001011 0.43759 4.28571
33 2F2U M77 0.001159 0.4047 4.28571
34 1QH9 LAC 0.002273 0.42281 4.31034
35 2H6B 3C4 0.02488 0.41954 4.4
36 4OYA 1VE 0.01387 0.45113 4.54545
37 1MG1 MAL 0.00103 0.44807 4.54545
38 2YVF NAD 0.02347 0.42464 4.54545
39 2YVF FAD 0.02278 0.42464 4.54545
40 3H86 AP5 0.01474 0.42456 4.54545
41 1WDA BAG 0.0003611 0.42326 4.54545
42 2VAR AMP 0.000406 0.41686 4.54545
43 2VDJ HSE 0.007889 0.41276 4.54545
44 2VAR KDG 0.0003127 0.41241 4.54545
45 2Y7P SAL 0.001875 0.41372 4.58716
46 3ZY6 GFB 0.003378 0.42455 4.64286
47 2ZJ3 G6P 0.005895 0.4126 4.64286
48 2V7T SAH 0.04694 0.42116 4.68227
49 1G8S MET 0.0007601 0.44279 4.78261
50 4IS0 1R4 0.009974 0.40647 4.97925
51 3L24 GOA 0.01155 0.41219 5
52 3MAG 3MA 0.001654 0.46217 5.35714
53 2J0B UDP 0.002658 0.44016 5.35714
54 3A0E M3M 0.004482 0.4104 5.45455
55 4B16 NAG 0.004041 0.44282 5.68182
56 3BL6 FMC 0.001691 0.43318 5.68182
57 1ULE GLA GAL NAG 0.003051 0.43159 5.68182
58 2F01 BTN 0.02053 0.42926 5.68182
59 2F01 BTQ 0.02053 0.42926 5.68182
60 2YIV NBN 0.00758 0.40689 5.68182
61 2C4I BTN 0.0065 0.40492 5.68182
62 2D37 FMN 0.005876 0.42243 5.71429
63 2D37 NAD 0.01682 0.40403 5.71429
64 3VCA PRO 0.004402 0.40195 5.71429
65 2F5X ASP 0.01127 0.40286 6.07143
66 3E81 SLB 0.005482 0.4009 6.09756
67 1H8P PC 0.01751 0.40353 6.42202
68 2WQP WQP 0.01218 0.40877 6.42857
69 3P7I P7I 0.002951 0.40603 6.42857
70 3CL7 HYN 0.009163 0.41118 6.78571
71 3CL5 SIO 0.008803 0.40404 6.78571
72 1HSJ GLC 0.00217 0.46705 6.81818
73 2EFJ 37T 0.0005344 0.435 6.81818
74 4GYW UDP 0.006077 0.42845 6.81818
75 1H16 PYR 0.006857 0.41554 6.81818
76 3CQ5 PMP 0.001826 0.4056 6.81818
77 1AX2 NDG GAL 0.003407 0.40359 6.81818
78 1ZFJ IMP 0.002622 0.45677 7.14286
79 2XUM OGA 0.001842 0.42664 7.14286
80 3P3N AKG 0.001979 0.42533 7.14286
81 4LWA Q13 0.01848 0.41435 7.14286
82 4B7E OGA 0.005243 0.40169 7.14286
83 4B9E FAH 0.000742 0.45102 7.30897
84 1WHT BZS 0.0003815 0.45537 7.42188
85 1IYE PGU 0.01174 0.41464 7.5
86 2XI7 XI7 0.005111 0.44751 7.6087
87 3BY8 MLT 0.003858 0.41973 7.74648
88 2OWZ CIT 0.007336 0.40139 7.85714
89 2BZ1 TAU 0.0004232 0.50428 7.95455
90 3E6J DR2 0.001195 0.46404 7.95455
91 4RJK PYR 0.00082 0.45758 7.95455
92 4N02 FNR 0.007251 0.44326 7.95455
93 3CXO 3LR 0.002844 0.43894 7.95455
94 1X54 4AD 0.00293 0.43232 7.95455
95 4G1V FAD 0.006463 0.42206 7.95455
96 1Q3Q ANP 0.02795 0.41848 7.95455
97 4F8L GAL 0.01838 0.41823 7.95455
98 2QCX PF1 0.002688 0.41344 7.95455
99 1TO9 HMH 0.001584 0.40495 7.95455
100 1Y8O ADP 0.001462 0.40095 7.95455
101 1O68 KIV 0.003678 0.40229 8
102 4M51 BEZ 0.001157 0.45077 8.21429
103 4JWX 1N4 0.001979 0.4128 8.21429
104 2DWU DGL 0.0002298 0.4382 8.33333
105 4Q3F TLA 0.001226 0.41112 8.54701
106 2HVW DDN 0.0001175 0.41874 8.69565
107 2Q37 3AL 0.003851 0.40712 8.83978
108 3IHB TRS 0.00008985 0.58346 8.92857
109 3TKA CTN 0.004165 0.44871 8.92857
110 4HZX G39 0.0124 0.42221 8.92857
111 3IHB GLU 0.006904 0.40866 8.92857
112 3F81 STT 0.0000504 0.52454 9.09091
113 1TDF NAP 0.002096 0.47998 9.09091
114 1R27 MGD 0.002423 0.45093 9.09091
115 4JCA CIT 0.004537 0.44031 9.09091
116 1TDF FAD 0.007111 0.43961 9.09091
117 1W2Y DUN 0.007069 0.43223 9.09091
118 1NZY BCA 0.004407 0.42927 9.09091
119 4A6F SEP 0.0129 0.4176 9.09091
120 3O03 GCO 0.009845 0.4155 9.09091
121 3ZPG 5GP 0.01092 0.41335 9.09091
122 3GTD MLI 0.005462 0.40097 9.09091
123 1SS4 GSH 0.0005974 0.50603 9.15033
124 2YD6 FLC 0.00001393 0.60522 9.90566
125 3CBG FER 0.006217 0.42503 9.91379
126 3CBG 4FE 0.02171 0.40625 9.91379
127 1ZUW DGL 0.0003863 0.42974 9.92647
128 1O9U ADZ 0.005386 0.42801 10
129 2W1A TSA 0.001322 0.42556 10
130 1YOE RIB 0.0008413 0.41731 10
131 3MBG FAD 0.005771 0.42129 10.0719
132 1P9P SAH 0.0005034 0.46117 10.2273
133 4W6Z ETF 0.002961 0.44039 10.2273
134 1Z42 HBA 0.01484 0.4259 10.2273
135 3U1T MLI 0.003109 0.42383 10.2273
136 1GAD NAD 0.01115 0.41043 10.2273
137 1PEA ACM 0.01204 0.40437 10.2273
138 1GJW MAL 0.001629 0.40033 10.2273
139 3PNA CMP 0.001436 0.41008 10.3896
140 1T0S BML 0.004888 0.42225 10.4651
141 1UQX MMA 0.007082 0.41597 10.6195
142 3U5S FAD 0.004385 0.41979 11.1111
143 1NU4 MLA 0.0002198 0.51919 11.3402
144 1RYI GOA 0.002845 0.47043 11.3636
145 1FIQ FAD 0.00234 0.44922 11.3636
146 1FIQ MTE 0.006623 0.42429 11.3636
147 1FIQ SAL 0.007553 0.42429 11.3636
148 3E4O SIN 0.0007502 0.42048 11.3636
149 2DKH 3HB 0.01796 0.41492 11.3636
150 4KCT PYR 0.0009108 0.4148 11.3636
151 5T0A A3P 0.002797 0.4139 11.3636
152 2GDZ NAD 0.01993 0.40331 11.3636
153 1KC7 PPR 0.01083 0.4001 11.3636
154 1Y1A GSH 0.004518 0.457 11.4754
155 1XHL NDP 0.0009487 0.46394 11.7857
156 4O8A 2OP 0.001452 0.45512 11.7857
157 1B74 DGN 0.0006529 0.46209 12.5
158 4AF5 CIT 0.0006525 0.44558 12.5
159 2Q8H TF4 0.006945 0.42274 12.5
160 3WUD GLC GAL 0.0124 0.40378 12.5
161 1Z45 GAL 0.003463 0.40332 13.2143
162 2VQ5 LDP 0.005121 0.42905 13.4328
163 4M5P MLA 0.0007206 0.48017 13.6364
164 4M5P 23W 0.003926 0.4266 13.6364
165 1SOW OXL 0.01448 0.40749 13.6364
166 1NP0 NGT 0.007108 0.40197 13.6364
167 1KBJ FMN 0.0169 0.40122 13.6364
168 3AHC TPP 0.01763 0.40565 13.9286
169 3PNL ADP 0.0171 0.41406 14.218
170 2W8Q SIN 0.006014 0.41129 14.2857
171 3LTW HLZ 0.0008798 0.44013 14.7727
172 3DAG FEG 0.00284 0.4345 14.7727
173 3OZG SSI 0.001307 0.43336 14.7727
174 1JA9 PYQ 0.004884 0.42873 14.7727
175 1I0Z OXM 0.005878 0.4262 14.7727
176 2BLE 5GP 0.04954 0.4078 14.7727
177 5YAS FAC 0.003947 0.40664 14.786
178 1M1B SPV 0.0004432 0.44512 15.9091
179 1JAC AMG 0.004619 0.43992 15.9091
180 2FWP ICR 0.004117 0.4395 15.9091
181 3QV9 QV7 0.001258 0.4268 15.9091
182 2JFV FLC 0.002368 0.42206 15.9091
183 2FWP CIT 0.00876 0.42023 15.9091
184 4PO2 ASN ARG LEU LEU LEU THR GLY 0.007016 0.41293 15.9091
185 4WVH ASP HIS ASP ALA HIS ALA 0.001225 0.41121 15.9091
186 2PTZ PAH 0.006524 0.40486 15.9091
187 2P69 PLP 0.004585 0.40405 15.9091
188 2HW1 FRU 0.004635 0.40386 15.9091
189 2R00 OEG 0.009133 0.40333 15.9091
190 3S9K CIT 0.0021 0.46318 16.9492
191 1H9G COA MYR 0.002445 0.43884 17.0455
192 1QO0 BMD 0.001406 0.43157 17.0455
193 1Y2W NAG 0.004706 0.40951 17.6056
194 1A59 CIT 0.003189 0.42335 18.2143
195 2OFE NAG 0.004963 0.40854 18.3099
196 1C1L GAL BGC 0.003651 0.42078 19.3182
197 1GPJ CIT 0.003915 0.41288 20.3571
198 2C31 TZD 0.0109 0.44601 20.4545
199 2C31 ADP 0.01432 0.43971 20.4545
200 2BOI MFU 0.00187 0.41376 20.4545
201 3I7S PYR 0.007618 0.41346 20.4545
202 3QDV NDG 0.0001487 0.48151 20.979
203 3QDV A2G 0.0008117 0.46714 20.979
204 3QDW A2G 0.000817 0.467 20.979
205 3QDT A2G GAL 0.0005215 0.46653 20.979
206 3QDY A2G GAL 0.0009351 0.45498 20.979
207 3QDW NDG 0.001191 0.44205 20.979
208 3QDX A2G GAL 0.0005687 0.40279 20.979
209 3QDY CBS 0.01076 0.4002 20.979
210 2WCV FUC 0.002368 0.40016 21.4286
211 1DL7 NCH 0.04037 0.40006 22.3214
212 1NME 159 0.001556 0.45368 22.6027
213 3Q9T FAY 0.009766 0.42592 22.7273
214 2ZWS PLM 0.02485 0.41129 22.7273
215 1HQL GLA MBG 0.006986 0.40844 22.7273
216 2EB5 OXL 0.001219 0.43418 23.8636
217 3ZGE ASP 0.004346 0.42458 23.8636
218 9LDT OXM 0.000436 0.49105 25
219 9LDB OXM 0.005483 0.4362 25
220 4DQ2 BTX 0.003299 0.43613 25
221 1H2M OGA 0.001844 0.42663 25
222 1JGS SAL 0.0002622 0.51517 26.087
223 1GVF PGH 0.001293 0.42002 26.1364
224 4TMK T5A 0.01666 0.40911 26.1364
225 2Q3M MLA 0.01104 0.41312 27.2727
226 1H2K OGA 0.001793 0.42714 29.2683
227 1T10 F6P 0.003318 0.40974 29.5455
228 4IRX INS 0.0003734 0.45372 29.6429
229 1R37 NAD 0.005236 0.4337 30.6818
230 2XDQ MGX 0.003157 0.43906 32.5
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