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Receptor
PDB id Resolution Class Description Source Keywords
4I9A 2.1 Å EC: 2.4.2.19 CRYSTAL STRUCTURE OF SUS SCROFA QUINOLINATE PHOSPHORIBOSYLTR IN COMPLEX WITH NICOTINATE MONONUCLEOTIDE SUS SCROFA TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF SUS SCROFA QUINOLINATE PHOSPHORIBOSYLTRANSFERASE IN COMPLEX WITH NICOTINAT MONONUCLEOTIDE PLOS ONE V. 8 62027 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NCN A:301;
B:301;
 Valid;
Valid;
 none;
none;
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335.204 C11 H14 N O9 P c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4I9A 2.1 Å EC: 2.4.2.19 CRYSTAL STRUCTURE OF SUS SCROFA QUINOLINATE PHOSPHORIBOSYLTR IN COMPLEX WITH NICOTINATE MONONUCLEOTIDE SUS SCROFA TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF SUS SCROFA QUINOLINATE PHOSPHORIBOSYLTRANSFERASE IN COMPLEX WITH NICOTINAT MONONUCLEOTIDE PLOS ONE V. 8 62027 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4I9A - NCN C11 H14 N O9 P c1cc(c[n+]....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2JBM - SRT C4 H6 O6 [C@H]([C@H....
2 4I9A - NCN C11 H14 N O9 P c1cc(c[n+]....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2JBM - SRT C4 H6 O6 [C@H]([C@H....
2 3C2R Kd = 0.78 mM PHT C8 H6 O4 c1ccc(c(c1....
3 3C2F Kd = 10.1 mM PRP C5 H13 O14 P3 C([C@@H]1[....
4 3C2O Kd = 0.45 mM NTM C7 H5 N O4 c1cc(c(nc1....
5 3C2V Kd = 0.78 mM PHT C8 H6 O4 c1ccc(c(c1....
6 4I9A - NCN C11 H14 N O9 P c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NCN; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 NCN 1 1
2 NMN 0.647887 0.892308
3 NXX 0.53 0.808219
4 DND 0.53 0.808219
5 NNR 0.492958 0.742424
6 8ID 0.462264 0.74359
7 NAJ 0.432432 0.780822
8 NHD 0.424779 0.805556
9 NAD 0.424779 0.805556
10 A3D 0.417391 0.794521
11 NFD 0.417391 0.763158
12 NGD 0.414414 0.74359
13 NBP 0.413223 0.74359
14 AMP NAD 0.412281 0.805556
15 N01 0.401709 0.780822
16 NDO 0.4 0.794521
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4I9A; Ligand: NCN; Similar sites found with APoc: 288
This union binding pocket(no: 1) in the query (biounit: 4i9a.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2FKA BEF None
2 5DQ8 FLF None
3 1LYX PGA 0.806452
4 1M5W DXP 1.23457
5 2F6U CIT 1.28205
6 4CW5 FMN 1.38889
7 3ILR IXD 1.38889
8 3ILR SGN 1.38889
9 5FYR INS 1.38889
10 4R38 RBF 1.42857
11 5O4J 9KH 1.45985
12 5O4J SAH 1.45985
13 1SDW IYT 1.73611
14 5AHN IMP 1.73611
15 1W8S FBP 1.90114
16 4EWN 0VR 1.97628
17 2HSA FMN 2.08333
18 3N2O AG2 2.08333
19 1UZH CAP 2.08333
20 5JZJ AN2 2.08333
21 4NMC 2OP 2.08333
22 4NMC FAD 2.08333
23 4ZUL UN1 2.08333
24 1FDJ 13P 2.08333
25 4WB6 ATP 2.08333
26 1FDJ 2FP 2.08333
27 5ZI9 FLC 2.08333
28 4H6Q TFB 2.08333
29 3MI3 LYS 2.08333
30 1LBF 137 2.42915
31 5J5R 6G1 2.43056
32 5J5R IMP 2.43056
33 1OVD ORO 2.43056
34 1ICP FMN 2.43056
35 1OVD FMN 2.43056
36 1OYB HBA 2.43056
37 1OYB FMN 2.43056
38 1SR9 KIV 2.43056
39 5UXM PEP 2.43056
40 1RZM PEP 2.43056
41 5A89 ADP 2.5641
42 3UWV 2PG 2.68199
43 3QH2 3NM 2.71493
44 4BI7 PGA 2.72374
45 2RDT FMN 2.77778
46 2RDT 2RD 2.77778
47 2BTM PGA 2.77778
48 1UAS GLA 2.77778
49 3U6W KIV 2.77778
50 3ZGJ RMN 2.77778
51 4O8A FAD 2.77778
52 1TIW FAD 2.77778
53 1TIW TFB 2.77778
54 6BQ6 TER 2.77778
55 3HAZ FAD 2.77778
56 1KY8 NAP 2.77778
57 3WG6 NDP 2.77778
58 3O03 GCO 2.77778
59 3OND NAD 2.77778
60 3OND ADN 2.77778
61 5BUK FAD 2.77778
62 5WS9 OXL 2.77778
63 4QCK ASD 2.77778
64 2BP1 NDP 2.77778
65 1QDS PGA 2.78884
66 1SW0 PGA 2.82258
67 2YPI PGA 2.83401
68 6BVE PGA 2.85714
69 3TAO PGH 2.99625
70 1DQX BMP 2.99625
71 3C3N FMN 3.125
72 3W9Z FMN 3.125
73 5VKI THR NGA GAL NAG 3.125
74 3T7V MD0 3.125
75 5W1E PHB 3.125
76 3HF3 FMN 3.125
77 5A0U CHT 3.125
78 4JGP PYR 3.22581
79 5OCS FMN 3.2345
80 5AHM IMP 3.25
81 4JEJ 1GP 3.47222
82 4ORM 2V6 3.47222
83 4ORM FMN 3.47222
84 4ORM ORO 3.47222
85 3A23 GAL 3.47222
86 3EAU PDN 3.47222
87 3EAU NDP 3.47222
88 3ATY FMN 3.47222
89 1TB3 FMN 3.47222
90 1TV5 FMN 3.47222
91 4NS0 PIO 3.47222
92 2C91 NAP 3.47222
93 5XVG 8FX 3.47222
94 5F3I 5UJ 3.47222
95 4Y9D NAI 3.47222
96 4M5P FMN 3.47222
97 4OOE FOM 3.47222
98 2WEL K88 3.47222
99 5YSQ INS 3.4965
100 2CBT TH2 3.57143
101 4YMZ 13P 3.58566
102 1UZD CAP 3.73134
103 5XFV FMN 3.81944
104 4Q4K FMN 3.81944
105 1UJP CIT 3.81944
106 6E1Q CFA 3.81944
107 4YAC NAI 3.81944
108 4QDC ASD 3.81944
109 1SWG BTN 3.90625
110 2Z6I FMN 3.91566
111 5EYW PGA 4.01606
112 5CPR 539 4.10448
113 4F8L AES 4.13793
114 3BLI PYR 4.16667
115 4JTA NAP 4.16667
116 3H55 GLA 4.16667
117 1KKR 2AS 4.16667
118 3G6K POP 4.16667
119 5ABX MGP 4.21053
120 2YJ0 420 4.34783
121 4NAE 1GP 4.44444
122 2Y88 2ER 4.5082
123 2Z6J FMN 4.51389
124 4TMC FMN 4.51389
125 4TMC HBA 4.51389
126 4JIQ 1L5 4.51389
127 4JIQ FMN 4.51389
128 2ZRU FMN 4.51389
129 1YFS ALA 4.51389
130 4UTW RFW 4.51389
131 2XIQ MLC 4.51389
132 4UTU LRY 4.51389
133 3EXS 5RP 4.52489
134 4LIT AKG 4.6683
135 4UIN QI9 4.6729
136 1MEX RAC 4.69484
137 1QRD FAD 4.7619
138 3JSX FAD 4.7619
139 4B1L FRU 4.84848
140 5O5Y GLC 4.86111
141 1OX5 1PR 4.86111
142 5DYO FLU 4.86111
143 1VYP FMN 4.86111
144 1JQ3 AAT 4.86111
145 1VYP TNF 4.86111
146 3OIX FMN 4.86111
147 4CUB GAL NAG 4.86111
148 2V63 CAP 5
149 1GK8 CAP 5
150 1IR2 CAP 5
151 2V67 CAP 5
152 2V68 CAP 5
153 2V6A CAP 5
154 2VDH CAP 5
155 5C9J DAO 5.05051
156 5TCI MLI 5.07246
157 2C6Q NDP 5.12821
158 2C6Q IMP 5.12821
159 4WZH FMN 5.18732
160 3MJY IJZ 5.20231
161 3MJY FMN 5.20231
162 1GTE FMN 5.20833
163 1GTE IUR 5.20833
164 3KRU FMN 5.20833
165 5GVH FMN 5.20833
166 1TRD PGH 5.20833
167 3VKC FPQ 5.20833
168 4P25 FUC GAL NAG FUC 5.20833
169 5T79 NDP 5.20833
170 3NRR D16 5.20833
171 5N5S NAP 5.20833
172 1Z0N BCD 5.20833
173 1NJJ ORX 5.20833
174 1ADO 13P 5.20833
175 2Q3O FMN 5.20833
176 5OCG 9R5 5.29101
177 5Z49 RUB 5.43933
178 1RBO CAP 5.55556
179 1XF1 CIT 5.55556
180 3GE7 AFQ 5.55556
181 4XP7 FNR 5.55556
182 1IR1 CAP 5.55556
183 4IXH IMP 5.55556
184 5W75 SUC 5.55556
185 2BHZ MAL 5.55556
186 4RW3 IPD 5.62914
187 5CSS G3P 5.75221
188 1M9H NAD 5.7554
189 6FA4 D1W 5.78035
190 1EXB NDP 5.82524
191 4LWU 20U 5.88235
192 3B0P FMN 5.90278
193 4NZF ARB 5.90278
194 2GOU FMN 5.90278
195 4M0R 644 5.90278
196 1GVE NAP 5.90278
197 1CT9 AMP 5.90278
198 2G50 PYR 5.90278
199 4CNO 9PY 5.95238
200 3CTL S6P 6.06061
201 3PGU OLA 6.08899
202 1R6N 434 6.16114
203 3W8X FAD 6.19658
204 3W8X FTK 6.19658
205 1CX9 NHP 6.25
206 1YNQ NDP 6.25
207 2EQA AMP 6.25
208 4OAG ADP 6.25
209 4RYV ZEA 6.45161
210 3BW2 FMN 6.59722
211 2GJN NIS 6.59722
212 2GJN FMN 6.59722
213 2BLE 5GP 6.59722
214 4YEE 4CQ 6.66667
215 1AL8 DHP 6.94444
216 1Q6O LG6 6.94444
217 4RDL FUC GAL NDG FUC 6.94444
218 4OYA 1VE 6.94444
219 3TFC PEP 6.94444
220 1AL8 FMN 6.94444
221 2QUN FUD 6.94444
222 3AXK NDP 6.97674
223 1BWV CAP 7.24638
224 4C1K PEP 7.25191
225 1KBJ FMN 7.29167
226 3KDN CAP 7.29167
227 4QNW FMN 7.29167
228 5KF6 FAD 7.29167
229 5KF6 TFB 7.29167
230 4IPN 1FT 7.29167
231 1KBI PYR 7.29167
232 1KBI FMN 7.29167
233 3HCH RSM 7.53425
234 4RF7 ARG 7.63889
235 1WDD CAP 7.63889
236 5L13 6ZE 7.63889
237 3AXM 6PG 7.63889
238 4BS0 6NT 7.63889
239 3OVR 5SP 7.89474
240 5A5W GUO 7.90514
241 1RBL CAP 8.25688
242 2P7Q GG6 8.27068
243 6B5G NAD 8.33333
244 6B5G CQY 8.33333
245 1OFD FMN 8.68056
246 1OFD AKG 8.68056
247 1EWF PC1 9.02778
248 2Q3R FMN 9.02778
249 1X1Z BMP 9.12698
250 2BW7 ECS 9.13242
251 5OYA CAP 9.35252
252 5N9Z CAP 9.35252
253 4Z87 5GP 9.375
254 6BKA FMN 9.375
255 4OAS 2SW 9.375
256 3CF6 SP1 9.58084
257 1LOR BMP 9.64912
258 4I3V NAD 9.72222
259 6GNO XDI 10.3704
260 1PVN MZP 10.4167
261 1ME8 RVP 10.4167
262 4O12 2QG 10.4167
263 4AF0 IMP 10.4167
264 1Z44 FMN 10.4167
265 5HWV MBN 10.4167
266 1Z41 FMN 10.4167
267 1Z48 FMN 10.4167
268 5EXK MET 10.7639
269 3GCM 5GP 11.1111
270 4UWM FMN 11.1111
271 2ZE3 AKG 11.2727
272 6GVD FDK 11.4583
273 3HQP OXL 11.8056
274 2FLI DX5 12.2727
275 4A3U FMN 12.5
276 5CUQ NSC 12.7341
277 4N02 FNR 12.8472
278 4HKP TKW 13.1944
279 4HKP 16B 13.1944
280 3MI2 PFU 13.6201
281 2TPS TPS 14.5374
282 1PS9 FMN 14.5833
283 2QCD U5P 14.6154
284 1VKF CIT 15.9722
285 3BRN SRO 16.5605
286 2H8Z FMN 19.0972
287 2H8Z 8CM 19.0972
288 4C2V YJA 20.4545
Pocket No.: 2; Query (leader) PDB : 4I9A; Ligand: NCN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4i9a.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4I9A; Ligand: NCN; 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: 4i9a.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4I9A; Ligand: NCN; Similar sites found with APoc: 99
This union binding pocket(no: 4) in the query (biounit: 4i9a.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3BJE URA 1.38889
2 3ILR SGN IXD 1.38889
3 2Q8Z NUP 1.73611
4 4XIZ LPP 1.76471
5 4H6Q FAD 2.08333
6 2NVA PL2 2.08333
7 4IJP 1EH 2.08333
8 4DDY DN6 2.28137
9 1JCM 137 2.3166
10 3BU1 HSM 2.7027
11 4L9Z OXL 2.77778
12 2FB3 GTP 2.77778
13 5UIU 8CG 2.77778
14 1NZY BCA 2.97398
15 3LGS ADE 2.99625
16 1W1A NDG 3.11284
17 4CQB MLI 3.125
18 2IRY DGT 3.125
19 5H5F SAM 3.125
20 5H06 MAL 3.125
21 1GSA ADP 3.125
22 2WSB NAD 3.14961
23 1ELI PYC 3.47222
24 2YVF FAD 3.47222
25 2YVF NAD 3.47222
26 5OLK DTP 3.47222
27 5DRB 5FJ 3.47222
28 5K8B PDG 3.47222
29 5KD6 6C7 3.47222
30 4FG8 ATP 3.47222
31 3FYP PEP 3.57143
32 4MIB 28M 3.81944
33 1YB5 NAP 3.81944
34 1EP2 FMN 3.83142
35 1EP2 ORO 3.83142
36 2F01 BTN 3.93701
37 2F01 BTQ 3.93701
38 1LDN OXM 4.16667
39 5F7J ADE 4.16667
40 2XG5 EC5 4.16667
41 2XG5 EC2 4.16667
42 3G6K FAD 4.16667
43 4B1M FRU FRU 4.32432
44 5VX9 FUC GAL NAG GAL BGC 4.34783
45 4RQL SNE 4.51389
46 1JXZ BCA 4.51389
47 3ZXR P3S 4.51389
48 3ZXR IQ1 4.51389
49 5L2R MLA 4.51389
50 5D3X 4IP 4.79042
51 2PFZ PCA 4.86111
52 1LQA NDP 4.86111
53 3F3E LEU 4.86111
54 5H4S RAM 4.92958
55 1Y7P RIP 4.93274
56 4YJK URA 5.15873
57 1XPM CAA 5.20833
58 1XPK CAA 5.20833
59 1XPM HMG 5.20833
60 1XPK HMG 5.20833
61 1ZB6 GST 5.20833
62 1UUO FMN 5.37634
63 1UUO BRF 5.37634
64 1UUO ORO 5.37634
65 5JWC FAD 5.55556
66 5M42 FMN 5.55556
67 5OD2 GLC 5.55556
68 4WZA ADP 5.90278
69 4WZA ACP 5.90278
70 2OO0 PLP 5.90278
71 1IYE PGU 6.14887
72 1F9V ADP 6.25
73 2ZL7 FUC GAL NGA 6.25
74 2XG9 NOJ GLC 6.54206
75 2HK9 ATR 6.54545
76 2HK9 NAP 6.54545
77 3Q60 ATP 6.59722
78 1F76 FMN 6.59722
79 2V92 AMP 7.00637
80 2V92 ATP 7.00637
81 1VP5 NAP 7.04698
82 3ORK AGS 7.63889
83 1GPM CIT 7.63889
84 1V97 FAD 7.98611
85 1F2U ATP 8.05369
86 2G37 FAD 8.33333
87 4R3U 3HC 8.33333
88 4R3U 3KK 8.33333
89 3CV6 HXS 8.33333
90 1FA2 DOM 8.68056
91 2YIP YIO 8.69565
92 2BW7 APC 9.13242
93 4Z0G 5GP 9.375
94 4YSW FAD 10.0694
95 4YSW NAI 10.0694
96 6FK3 PPI 10.4167
97 1CS4 101 10.7639
98 1CS4 FOK 10.7639
99 5EYK 5U5 15.2542
Pocket No.: 5; Query (leader) PDB : 4I9A; Ligand: NCN; 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: 4i9a.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4I9A; Ligand: NCN; 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: 4i9a.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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