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: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 NCN 1 1
2 NMN 0.647887 0.892308
3 DND 0.53 0.808219
4 NXX 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 NAD IBO 0.415929 0.75
13 NGD 0.414414 0.74359
14 NBP 0.413223 0.74359
15 N01 0.401709 0.780822
16 NAJ PYZ 0.4 0.734177
17 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: 476
This union binding pocket(no: 1) in the query (biounit: 4i9a.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SS4 GSH 0.005257 0.4786 None
2 1LNX URI 0.001564 0.45022 None
3 1SS4 CIT 0.008788 0.44863 None
4 2DTJ THR 0.001624 0.43842 None
5 3F81 STT 0.0163 0.43396 None
6 4IEN COA 0.000008804 0.4304 None
7 1BTN I3P 0.03403 0.42559 None
8 1UO4 PIH 0.04851 0.41538 None
9 3ZZS TRP 0.00002282 0.41418 None
10 2O66 FLC 0.01376 0.41394 None
11 1A5V Y3 0.01399 0.4136 None
12 3BY8 MLT 0.0258 0.41153 None
13 1UW1 ADP 0.02036 0.40624 None
14 4U9W COA 0.004907 0.40237 None
15 2E1A MSE 0.01691 0.40084 None
16 2F2U M77 0.004261 0.42131 0.694444
17 1JN2 SFP 0.003667 0.50847 0.843882
18 1IZC PYR 0.0004225 0.42409 1.04167
19 2FOI JPA 0.001631 0.43835 1.11524
20 1M5W DXP 0.006305 0.42621 1.23457
21 2F6U CIT 0.001956 0.45485 1.28205
22 1G8S MET 0.00188 0.45934 1.30435
23 3UEC ALA ARG TPO LYS 0.02654 0.41093 1.36986
24 4USS GSH 0.00286 0.43883 1.38889
25 4CW5 FMN 0.001851 0.42899 1.38889
26 3NNF AKG 0.01091 0.42383 1.38889
27 4C2G ALA ALA ALA ALA 0.006771 0.41766 1.38889
28 4N69 SER 0.00505 0.43941 1.3986
29 4R38 RBF 0.007665 0.40372 1.42857
30 1WNG SAH 0.002148 0.4078 1.50943
31 3OCZ SRA 0.001997 0.41664 1.52672
32 1B5E DCM 0.005771 0.42058 1.62602
33 2BNE U5P 0.0006227 0.40467 1.65975
34 3ZGE ASP 0.001419 0.48034 1.73611
35 2IMP NAI 0.004085 0.41222 1.73611
36 2PP3 LGT 0.004909 0.41012 1.73611
37 2FFC U5P 0.00384 0.40257 1.73611
38 1O6B ADP 0.000311 0.42628 1.77515
39 1W8S FBP 0.003869 0.40059 1.90114
40 3PMA SCR 0.01525 0.40716 1.9305
41 4EWN 0VR 0.001153 0.42974 1.97628
42 2HSA FMN 0.001172 0.4536 2.08333
43 3L6R MLI 0.009466 0.43264 2.08333
44 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.001234 0.42865 2.08333
45 1UZH CAP 0.003224 0.42223 2.08333
46 1C0I FAD 0.0005389 0.41991 2.08333
47 1C0I BE2 0.0005389 0.41991 2.08333
48 1FWY UD1 0.00004055 0.41862 2.08333
49 4NMC 2OP 0.01086 0.41728 2.08333
50 4NMC FAD 0.01142 0.41728 2.08333
51 4HZO COA 0.009159 0.41683 2.08333
52 1RYD GLC 0.01745 0.41431 2.08333
53 3T1A 5MA 0.002112 0.41181 2.08333
54 3QP6 HL6 0.005179 0.40922 2.08333
55 1JQ5 NAD 0.01612 0.40769 2.08333
56 3LST SAH 0.006365 0.40576 2.08333
57 1SAZ ACP 0.008525 0.40028 2.08333
58 2JBH 5GP 0.01232 0.40667 2.22222
59 1FS5 TLA 0.00002928 0.44225 2.25564
60 2OHV NHL 0.008418 0.41366 2.27273
61 1X1T NAD 0.00003393 0.47815 2.30769
62 1LBF 137 0.0001866 0.48685 2.42915
63 1OVD ORO 0.001128 0.46373 2.43056
64 4RJK PYR 0.003368 0.46159 2.43056
65 2VDJ HSE 0.006169 0.44844 2.43056
66 1F8F NAD 0.0001405 0.44606 2.43056
67 1ICP FMN 0.001764 0.44544 2.43056
68 1WRA PC 0.008907 0.43391 2.43056
69 1RZM E4P 0.0119 0.42783 2.43056
70 1OYB HBA 0.003898 0.42674 2.43056
71 1OYB FMN 0.003062 0.42674 2.43056
72 1XMV ADP 0.0004769 0.42639 2.43056
73 1A59 CIT 0.01466 0.42345 2.43056
74 2RCN GDP 0.004172 0.42168 2.43056
75 2IZ1 ATR 0.01532 0.41696 2.43056
76 3CEV ARG 0.007291 0.4163 2.43056
77 2Z5Y HRM 0.0002336 0.41043 2.43056
78 1D6H COA 0.001317 0.40586 2.43056
79 1RZM PEP 0.02057 0.40306 2.43056
80 1E5F PLP 0.006746 0.40095 2.43056
81 1PX8 XYP 0.02785 0.40007 2.43056
82 4JP3 CIT 0.001837 0.43127 2.51046
83 3NOJ PYR 0.0000739 0.51171 2.52101
84 1QJC PNS 0.002654 0.40397 2.53165
85 3EJ0 11X 0.0008085 0.46589 2.55102
86 1A8S PPI 0.0001767 0.47463 2.5641
87 3RO7 TDR 0.000311 0.45785 2.64151
88 3UWV 2PG 0.009384 0.40157 2.68199
89 2X61 CH 0.00008392 0.43788 2.71318
90 2X61 NGA GAL SIA 0.0007565 0.4243 2.71318
91 3QH2 3NM 0.0006885 0.40683 2.71493
92 2VHJ ADP 0.001805 0.41043 2.71903
93 4O8A 2OP 0.0006929 0.50538 2.77778
94 1O9U ADZ 0.003252 0.47047 2.77778
95 1H16 PYR 0.003358 0.46165 2.77778
96 3VOZ 04A 0.0001459 0.45813 2.77778
97 1A5Z FBP 0.0001409 0.44882 2.77778
98 2RDT FMN 0.001263 0.44743 2.77778
99 2RDT 2RD 0.001837 0.44743 2.77778
100 1D3V ABH 0.000005943 0.4452 2.77778
101 4G1V FAD 0.001052 0.43944 2.77778
102 1T26 GBD 0.001069 0.43868 2.77778
103 1T26 NAI 0.001069 0.43868 2.77778
104 1A5Z OXM 0.01214 0.4337 2.77778
105 4A8H PUW 0.00002236 0.43246 2.77778
106 1H16 DTL 0.01901 0.43046 2.77778
107 2Q1A 2KT 0.0004597 0.42288 2.77778
108 1UF5 CDT 0.004357 0.42091 2.77778
109 4IU0 ABH 0.0006403 0.41813 2.77778
110 1X8X TYR 0.005571 0.41655 2.77778
111 4O8A FAD 0.008767 0.41595 2.77778
112 1TIW FAD 0.01333 0.4151 2.77778
113 4B7E OGA 0.0137 0.41402 2.77778
114 3O03 NAP 0.001634 0.41351 2.77778
115 4LH0 GLV 0.0136 0.41265 2.77778
116 3HAZ FAD 0.01154 0.41039 2.77778
117 4QN7 G39 0.0006582 0.40592 2.77778
118 3WG6 NDP 0.01369 0.40445 2.77778
119 3P3N AKG 0.02468 0.40303 2.77778
120 1TIW TFB 0.00109 0.403 2.77778
121 2BP1 NDP 0.02233 0.40035 2.77778
122 1S8F GDP 0.005727 0.40753 2.82486
123 4PB2 5UD 0.0008175 0.42648 2.83019
124 2YPI PGA 0.005754 0.4215 2.83401
125 1C3V NDP 0.0003661 0.4079 2.85714
126 1MVN PCO 0.0001936 0.44296 2.87081
127 1MVN FMN 0.001326 0.40042 2.87081
128 3BHO B4P 0.04306 0.41825 2.88462
129 2C5S AMP 0.009238 0.41196 2.90557
130 2ZO9 MLI 0.00008923 0.48656 2.91971
131 1DQX BMP 0.002143 0.43011 2.99625
132 1XIU REA 0.002688 0.41193 3.04348
133 1VQ2 DDN 0.002388 0.4138 3.10881
134 3W9Z FMN 0.0008991 0.44275 3.125
135 1V5F TPP 0.00324 0.43732 3.125
136 1V5F FAD 0.00324 0.43732 3.125
137 3PLN U5P 0.003703 0.43395 3.125
138 1NML CIT 0.003873 0.43311 3.125
139 3C3N FMN 0.005158 0.43146 3.125
140 2NLI LAC 0.0005182 0.42432 3.125
141 3CXO 1N5 0.0001386 0.42014 3.125
142 2O2C G6Q 0.002329 0.4183 3.125
143 3M6W SAM 0.004539 0.40742 3.125
144 3HF3 FMN 0.008014 0.40632 3.125
145 1T10 F6P 0.02071 0.40591 3.125
146 3SHR CMP 0.01045 0.40536 3.125
147 4KOA NDP 0.005587 0.40031 3.125
148 4EKV BTN 0.0002106 0.41783 3.14465
149 3SQG COM 0.00664 0.4627 3.22581
150 2BGM NAJ 0.002405 0.40809 3.23741
151 3PNA CMP 0.002826 0.43365 3.24675
152 3NGU ADP 0.008346 0.40121 3.31126
153 1EB9 HBA 0.001541 0.4343 3.43511
154 1QH9 LAC 0.002494 0.45364 3.44828
155 1TV5 ORO 0.00008049 0.47029 3.47222
156 4JEJ 1GP 0.00007515 0.46422 3.47222
157 4M5P 23W 0.00344 0.46113 3.47222
158 1TB3 FMN 0.001672 0.44793 3.47222
159 4M5P MLA 0.01292 0.44696 3.47222
160 2OWZ CIT 0.00358 0.44635 3.47222
161 4ORM ORO 0.008642 0.44176 3.47222
162 3CQ5 PMP 0.001991 0.44005 3.47222
163 2DWU DGL 0.003634 0.42905 3.47222
164 3EAU PDN 0.006734 0.42711 3.47222
165 1OTH PAO 0.00009854 0.42601 3.47222
166 3ATY FMN 0.003805 0.42413 3.47222
167 2YYJ FAD 0.002471 0.42075 3.47222
168 2YYJ 4HP 0.002471 0.42075 3.47222
169 2Q8M AMP 0.003669 0.41935 3.47222
170 1YHM AHD 0.01202 0.41658 3.47222
171 3O2K DST 0.01006 0.41506 3.47222
172 1HV9 UD1 0.00006662 0.41289 3.47222
173 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.001321 0.41103 3.47222
174 1TV5 A26 0.001138 0.40989 3.47222
175 3QO8 SSA 0.004677 0.40693 3.47222
176 2C91 NAP 0.01636 0.40673 3.47222
177 2HMT NAI 0.001843 0.40513 3.47222
178 2X4Z X4Z 0.01736 0.40442 3.47222
179 2JC9 ADN 0.01867 0.40332 3.47222
180 4M5P FMN 0.009928 0.40048 3.47222
181 3O2K QRP 0.01393 0.40023 3.47222
182 4OOE FOM 0.01093 0.40022 3.47222
183 4JWX 1N4 0.009498 0.41615 3.57143
184 4KGM ATP 0.005869 0.41125 3.67347
185 3EW2 BTN 0.009199 0.41204 3.7037
186 1UZD CAP 0.003022 0.42348 3.73134
187 3VHZ SOG 0.002974 0.40803 3.81679
188 4Q4K FMN 0.0007986 0.45645 3.81944
189 1ML4 PAL 0.00003916 0.45122 3.81944
190 2Q3M MLA 0.009133 0.44711 3.81944
191 1NVU GTP 0.0001429 0.44583 3.81944
192 1Q3Q ANP 0.0001735 0.44493 3.81944
193 2BO4 FLC 0.006115 0.44179 3.81944
194 4OE4 NAD 0.00002965 0.43874 3.81944
195 2B4G FMN 0.002333 0.4369 3.81944
196 1LDM OXM 0.002545 0.43046 3.81944
197 2Q09 DI6 0.003788 0.42829 3.81944
198 1UJP CIT 0.002045 0.42498 3.81944
199 4IHQ ADP 0.00529 0.42218 3.81944
200 3PMD 11A 0.004757 0.41935 3.81944
201 3P7I P7I 0.008799 0.41759 3.81944
202 3DG6 MUC 0.003377 0.41639 3.81944
203 2AEB ABH 0.0003235 0.41306 3.81944
204 1I1Q TRP 0.01059 0.40945 3.81944
205 1WVC CTP 0.007723 0.40492 3.81944
206 1NXJ TLA 0.00005591 0.47615 3.82514
207 1NXJ GLV 0.0003256 0.47315 3.82514
208 3DX5 DHB 0.01044 0.40537 3.84615
209 1EYE PMM 0.002409 0.4266 3.92857
210 4N7C AEF 0.02486 0.41232 3.97727
211 1NNS ASP 0.0123 0.40245 3.98773
212 3Q3C NAD 0.0007116 0.42176 4.01338
213 2FR6 CTN 0.003338 0.40474 4.10959
214 1O7N IND 0.000789 0.41514 4.12371
215 4F8L GAL 0.01574 0.45079 4.13793
216 4F8L AES 0.01801 0.4102 4.13793
217 2W8Q SIN 0.003259 0.45495 4.16667
218 4WBD CIT 0.00736 0.4446 4.16667
219 3JQ3 ADP 0.001433 0.44065 4.16667
220 3GTD MLI 0.00394 0.43837 4.16667
221 5DRN 5CT 0.02063 0.43212 4.16667
222 2HFK E4H 0.004134 0.43187 4.16667
223 2GJ3 FAD 0.00006205 0.42946 4.16667
224 4AF5 CIT 0.009172 0.42735 4.16667
225 2NCD ADP 0.007482 0.42586 4.16667
226 4WBD ADP 0.01951 0.41744 4.16667
227 2WL9 MBD 0.0008589 0.40686 4.16667
228 3G6K POP 0.01506 0.4038 4.16667
229 4UAL 3FV 0.004687 0.4031 4.16667
230 3HZS M0E 0.001295 0.40402 4.30622
231 3KYF 5GP 5GP 0.01155 0.40357 4.329
232 1JGS SAL 0.02928 0.43532 4.34783
233 4K30 NLG 0.02091 0.40116 4.375
234 1WKL ATP 0.0009302 0.42448 4.37956
235 1TUV VK3 0.008594 0.44849 4.38596
236 2CE7 ADP 0.007134 0.40385 4.41176
237 4NAE 1GP 0.0001796 0.50962 4.44444
238 2Z9C FMN 0.003488 0.4005 4.5
239 2Y88 2ER 0.002741 0.44438 4.5082
240 2FGQ MLT 0.00002291 0.54813 4.51389
241 2YIV YIV 0.007055 0.44552 4.51389
242 2Z6J FMN 0.002765 0.43646 4.51389
243 1QZZ SAM 0.001548 0.42947 4.51389
244 4JIQ 1L5 0.003335 0.4283 4.51389
245 1YBH P22 0.00009035 0.42554 4.51389
246 4IVG ANP 0.0004754 0.4255 4.51389
247 4B16 NAG 0.03912 0.42056 4.51389
248 2YIV NBN 0.01715 0.42015 4.51389
249 1YBH FAD 0.003106 0.41954 4.51389
250 3L24 GOA 0.04925 0.40864 4.51389
251 2Z9V PXM 0.0145 0.40812 4.51389
252 2XIQ MLC 0.01194 0.4072 4.51389
253 2C9O ADP 0.0001071 0.40687 4.51389
254 2EB5 OXL 0.02999 0.40327 4.51389
255 4UTW RFW 0.005671 0.40172 4.51389
256 4UTU LRY 0.004629 0.40149 4.51389
257 1KDK DHT 0.0008908 0.4134 4.51977
258 3EXS 5RP 0.0008192 0.4621 4.52489
259 4C6F DOR 0.002333 0.432 4.58015
260 4C6F NCD 0.002333 0.432 4.58015
261 1R6W 164 0.005926 0.40307 4.65839
262 2HVK TBA 0.0008002 0.47655 4.71698
263 4LKK SIA GAL 0.0001365 0.45412 4.7619
264 3JSX FAD 0.009003 0.40406 4.7619
265 2NZ2 ASP 0.0001626 0.49289 4.86111
266 1KTC NGA 0.000484 0.47233 4.86111
267 3FPZ AHZ 0.0001415 0.46168 4.86111
268 4M51 BEZ 0.005496 0.45095 4.86111
269 1GPJ CIT 0.002906 0.45056 4.86111
270 4CUB GAL NAG 0.01512 0.44894 4.86111
271 1I0Z OXM 0.01041 0.44414 4.86111
272 1YOE RIB 0.00003864 0.43282 4.86111
273 1VYP FMN 0.004645 0.42177 4.86111
274 1EDO NAP 0.002028 0.41758 4.86111
275 4HA6 FAD 0.0006033 0.41632 4.86111
276 1VYP TNF 0.00571 0.41616 4.86111
277 3OIX FMN 0.005488 0.41535 4.86111
278 1LQA NDP 0.01138 0.41416 4.86111
279 4MOB ADP 0.002897 0.41271 4.86111
280 3F3E LEU 0.0007684 0.40639 4.86111
281 3VCA PRO 0.0233 0.4013 4.86111
282 4M7F BM3 0.01513 0.40732 4.86726
283 1Y7P RIP 0.01217 0.43365 4.93274
284 2ZSC BTN 0.005814 0.40728 4.96454
285 2VQ5 LDP 0.01004 0.44497 4.97512
286 3R51 MMA 0.005935 0.45687 5
287 2VDH CAP 0.002261 0.42907 5
288 2V63 CAP 0.002345 0.42837 5
289 2V6A CAP 0.002963 0.42198 5
290 2V68 CAP 0.002958 0.40409 5
291 2V67 CAP 0.002421 0.40074 5
292 2BZ1 TAU 0.00498 0.47932 5.10204
293 4Q3F TLA 0.001338 0.46619 5.12821
294 2C6Q NDP 0.004755 0.44042 5.12821
295 2C6Q IMP 0.001994 0.4368 5.12821
296 4P9Z NMI PTR 02K ASN NH2 0.01164 0.41229 5.12821
297 3MJY FMN 0.0024 0.44337 5.20231
298 1F1V DHY 0.0005964 0.46209 5.20833
299 3QV9 QV7 0.003925 0.43845 5.20833
300 3KRU FMN 0.003511 0.43568 5.20833
301 2Q3O FMN 0.002076 0.43256 5.20833
302 2P69 PLP 0.007208 0.42659 5.20833
303 3L02 SN0 0.00005323 0.41616 5.20833
304 3L02 CP 0.00005323 0.41616 5.20833
305 2ZJ5 ADP 0.01526 0.4119 5.20833
306 3NRR D16 0.02343 0.41028 5.20833
307 1GJW GLC 0.0304 0.40806 5.20833
308 1NJJ ORX 0.007181 0.40675 5.20833
309 3D2Y AH0 ALA FGA LYS 0.003488 0.40406 5.20833
310 4F4S EFO 0.0117 0.41219 5.26316
311 3GJB AKG 0.004503 0.42513 5.32915
312 1XX4 BAM 0.00082 0.46562 5.36398
313 4JCA CIT 0.001774 0.49384 5.38922
314 1Y1A GSH 0.001969 0.5057 5.46448
315 1QD0 RR6 0.008068 0.40575 5.46875
316 1RBO CAP 0.008722 0.46451 5.55556
317 1Y42 TYR 0.002276 0.44314 5.55556
318 1V1A ADP 0.00004447 0.43107 5.55556
319 1IR1 CAP 0.002473 0.42545 5.55556
320 4FUA PGH 0.00009951 0.42839 5.5814
321 5DUB GLY 5GG GLY ALA 0.0384 0.41134 5.60748
322 4TMK T5A 0.0002366 0.46826 5.6338
323 4LWU 20U 0.006603 0.41025 5.88235
324 3B9Z CO2 0.00005875 0.52916 5.90278
325 1JSH SIA GAL 0.0001635 0.43768 5.90278
326 3B0P FMN 0.0007868 0.43721 5.90278
327 2ZX7 ZX7 0.0000343 0.42733 5.90278
328 4PTZ FMN 0.001015 0.42314 5.90278
329 1FP2 SAH 0.003495 0.41582 5.90278
330 2GOU FMN 0.01074 0.41421 5.90278
331 2G50 PYR 0.01945 0.4049 5.90278
332 1GVE NAP 0.01769 0.40404 5.90278
333 2YLD CMO 0.03017 0.40315 5.90278
334 3TA2 AKG 0.0002601 0.40909 5.9322
335 1UGX GAL MGC 0.0001331 0.41742 6.01504
336 3SCH TB6 0.009291 0.42709 6.06061
337 3CTL S6P 0.007844 0.40327 6.06061
338 1R6N 434 0.01936 0.40663 6.16114
339 2BOI MFU 0.003765 0.43364 6.19469
340 3W8X FAD 0.02378 0.40836 6.19658
341 1RYI GOA 0.03101 0.43597 6.25
342 1OMZ UD2 0.0004874 0.41918 6.25
343 1QW9 KHP 0.0002923 0.41789 6.25
344 2VAR KDF 0.004449 0.41603 6.25
345 2JFV FLC 0.01635 0.41563 6.25
346 4NAO AKG 0.02251 0.41441 6.25
347 2VAR AMP 0.006653 0.41339 6.25
348 2EQA AMP 0.007928 0.40972 6.25
349 4WVH ASP HIS ASP ALA HIS ALA 0.01157 0.40782 6.25
350 3H86 AP5 0.002487 0.40487 6.25
351 3QDT A2G GAL 0.01256 0.43296 6.29371
352 3QDY CBS 0.01813 0.41898 6.29371
353 1H8P PC 0.002714 0.47456 6.42202
354 1N9L FMN 0.001217 0.42033 6.42202
355 1MQ0 BRD 0.008786 0.40035 6.42857
356 2ZWS PLM 0.00001401 0.62426 6.59722
357 4W6Z ETF 0.004789 0.46173 6.59722
358 1Z6K OAA 0.0009419 0.4454 6.59722
359 2BLE 5GP 0.005612 0.42094 6.59722
360 1LCP PLU 0.0001499 0.40835 6.59722
361 4NTX AMR 0.001044 0.46099 6.72269
362 2WIC GNP 0.00002991 0.45494 6.74157
363 1FX8 BOG 0.004789 0.40275 6.76157
364 3RF4 FUN 0.004447 0.4305 6.89655
365 4LO6 SIA GAL 0.001225 0.47937 6.94444
366 1F5F DHT 0.0001737 0.45536 6.94444
367 1AL8 FMN 0.0007847 0.45329 6.94444
368 1AL8 DHP 0.00128 0.45329 6.94444
369 1Q6O LG6 0.000755 0.43876 6.94444
370 4OYA 1VE 0.002124 0.43028 6.94444
371 1AX2 NDG GAL 0.003785 0.43354 7.11297
372 3OIG IMJ 0.0006209 0.40404 7.14286
373 3OIG NAD 0.003773 0.40324 7.14286
374 3I6B KDO 0.007865 0.41972 7.22222
375 1BWV CAP 0.002797 0.42111 7.24638
376 1DXY COI 0.002449 0.47688 7.29167
377 1KBI PYR 0.0004139 0.4711 7.29167
378 1KBJ FMN 0.0004324 0.46852 7.29167
379 4QNW FMN 0.0009749 0.4453 7.29167
380 1CKM GTP 0.004855 0.42375 7.29167
381 3KDN CAP 0.01355 0.42192 7.29167
382 1RRC ADP 0.00007431 0.40437 7.29167
383 1C1L GAL BGC 0.02103 0.41586 7.29927
384 3L0E G58 0.0007216 0.40258 7.50988
385 3KMT SAH 0.006037 0.40665 7.56302
386 4LHM AZZ 0.0008301 0.46872 7.63889
387 2YP9 SIA CMO 0.0009737 0.43024 7.63889
388 1WDD CAP 0.002097 0.42862 7.63889
389 1GXU 2HP 0.001763 0.40362 7.69231
390 1Y9Q MED 0.006618 0.43395 7.8125
391 3OVR 5SP 0.004876 0.41598 7.89474
392 1JH7 UVC 0.02177 0.40492 7.93651
393 4KCF AKM 0.00002391 0.46653 7.98611
394 1I9G SAM 0.001394 0.40705 7.98611
395 4KCF FMN 0.001228 0.40028 7.98611
396 1JA9 NDP 0.003586 0.40936 8.0292
397 2IYG FMN 0.002901 0.42341 8.06452
398 4EXO PYR 0.004156 0.45702 8.21918
399 1RBL CAP 0.001899 0.43428 8.25688
400 1YRX FMN 0.003034 0.41399 8.26446
401 1JOT GAL A2G 0.004344 0.42096 8.27068
402 1T0S BML 0.02652 0.41661 8.33333
403 3A2Y TS5 0.003288 0.40873 8.33333
404 1Z45 GAL 0.01715 0.40493 8.33333
405 2EJU SAH 0.003483 0.40408 8.33333
406 1SC3 MLI 0.02216 0.42055 8.42697
407 1OFD FMN 0.004075 0.43627 8.68056
408 4Q3S X7A 0.0001743 0.41929 8.68056
409 1OFD AKG 0.009804 0.41607 8.68056
410 1E2S CSN 0.008612 0.40068 8.68056
411 2Q3R FMN 0.003176 0.42064 9.02778
412 1EWF PC1 0.02224 0.4054 9.02778
413 2BW7 ECS 0.03503 0.40244 9.13242
414 1D09 PAL 0.0001755 0.47135 9.15033
415 1J2Z SOG 0.0003781 0.44544 9.25926
416 3K3G MMU 0.002116 0.44745 9.375
417 4MWV BCZ 0.0004501 0.41336 9.375
418 3MB5 SAM 0.0001974 0.43756 9.41177
419 1YOA FMN 0.0307 0.43413 9.43396
420 1H2M OGA 0.01069 0.42425 9.61539
421 1ZJ6 G3D 0.002007 0.42975 9.62567
422 1LOR BMP 0.0004444 0.40242 9.64912
423 1QY1 PRZ 0.001127 0.4137 9.77011
424 2FWP ICR 0.00006461 0.43587 9.83607
425 2FWP CIT 0.0002243 0.41408 9.83607
426 2V5E SCR 0.02987 0.42702 9.90099
427 4Q3R XA2 0.00001467 0.43425 10.0694
428 1QO0 BMD 0.01541 0.41683 10.0694
429 2PNZ UDP 0.00009549 0.41448 10.0694
430 3SIX GDP 0.008533 0.40478 10.0694
431 1Z42 HBA 0.002195 0.5087 10.4167
432 1ME8 RVP 0.001394 0.45939 10.4167
433 4AF0 IMP 0.0007562 0.45214 10.4167
434 1PVN MZP 0.002428 0.45135 10.4167
435 1Z44 NPO 0.03974 0.42764 10.4167
436 4AF0 MOA 0.0006489 0.41068 10.4167
437 4P87 4NP 0.000424 0.40951 10.4167
438 3DER ALA LYS 0.002675 0.4045 10.4167
439 1SQ5 ADP 0.002277 0.42758 10.7639
440 3I8T LBT 0.002096 0.44469 10.9756
441 1FWE HAE 0.004037 0.42713 11
442 2DVZ GLU 0.001245 0.44314 11.4583
443 4G28 0W8 0.0004385 0.46771 11.7647
444 1Q3P GLU ALA GLN THR ARG LEU 0.01029 0.40998 11.9266
445 1VCO GLN 0.0006062 0.40485 12.1528
446 1OGD RIP 0.01167 0.41225 12.2137
447 2FLI DX5 0.001371 0.43872 12.2727
448 4A3U FMN 0.00275 0.4253 12.5
449 3QP4 HL0 0.00337 0.41228 12.6374
450 1Y75 NAG 0.00229 0.4375 12.7119
451 4N02 FNR 0.004186 0.42226 12.8472
452 2QS8 MET 0.0001507 0.41588 12.8472
453 4HKP TKW 0.004894 0.41591 13.1944
454 3M0J OAF 0.00008039 0.41478 13.1944
455 4HKP 16B 0.005268 0.40903 13.1944
456 2J5S KTA 0.0001295 0.45493 13.308
457 4G4S LDZ 0.001696 0.41923 13.3858
458 4DN8 BMA 0.0000105 0.56384 13.4615
459 1ECM TSA 0.01334 0.40521 13.7615
460 2TPS TPS 0.0004269 0.46878 14.5374
461 1PS9 FMN 0.004095 0.41937 14.5833
462 2QCD U5P 0.008634 0.40143 14.6154
463 2XDQ MGX 0.01239 0.4402 14.9306
464 3MAG 3MA 0.008243 0.4576 15.2778
465 4B9E FAH 0.00625 0.44133 15.9468
466 1VKF CIT 0.0001826 0.41411 15.9722
467 2FYU FDN 0.003442 0.40426 17.8571
468 1NU4 MLA 0.04361 0.42531 18.5567
469 3S9K CIT 0.000263 0.55144 19.4915
470 4C2V YJA 0.01504 0.40382 20.4545
471 4IMG NGF 0.002746 0.4041 20.4861
472 1OFH ADP 0.002302 0.40947 21.8391
473 4CCN OGA 0.02134 0.41022 22.8571
474 3EM1 TYD 0.00009608 0.40037 23.2877
475 3KPE TM3 0.002681 0.45219 25.641
476 4GQB 0XU 0.002037 0.40723 31.8182
Pocket No.: 2; Query (leader) PDB : 4I9A; Ligand: NCN; Similar sites found: 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 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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