Receptor
PDB id Resolution Class Description Source Keywords
3FIU 1.85 Å EC: 6.3.1.5 STRUCTURE OF NMN SYNTHETASE FROM FRANCISELLA TULARENSIS FRANCISELLA TULARENSIS SUBSP. HOLARCTIORGANISM_TAXID: 376619 ROSSMANN FOLD ADENINE NUCLEOTIDE ALPHA HYDROLASE-LIKE ATP-LIGASE NAD NUCLEOTIDE-BINDING
Ref.: NICOTINAMIDE MONONUCLEOTIDE SYNTHETASE IS THE KEY E AN ALTERNATIVE ROUTE OF NAD BIOSYNTHESIS IN FRANCIS TULARENSIS PROC.NATL.ACAD.SCI.USA V. 106 3083 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMP A:3001;
B:3001;
C:3001;
D:3001;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
347.221 C10 H14 N5 O7 P c1nc(...
MG A:5001;
A:5002;
B:5001;
B:5002;
C:5001;
C:5002;
D:5001;
D:5002;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
NA A:250;
B:250;
C:250;
D:250;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
POP A:4001;
B:4001;
C:4001;
D:4001;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
175.959 H2 O7 P2 O[P@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3FIU 1.85 Å EC: 6.3.1.5 STRUCTURE OF NMN SYNTHETASE FROM FRANCISELLA TULARENSIS FRANCISELLA TULARENSIS SUBSP. HOLARCTIORGANISM_TAXID: 376619 ROSSMANN FOLD ADENINE NUCLEOTIDE ALPHA HYDROLASE-LIKE ATP-LIGASE NAD NUCLEOTIDE-BINDING
Ref.: NICOTINAMIDE MONONUCLEOTIDE SYNTHETASE IS THE KEY E AN ALTERNATIVE ROUTE OF NAD BIOSYNTHESIS IN FRANCIS TULARENSIS PROC.NATL.ACAD.SCI.USA V. 106 3083 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3FIU - POP H2 O7 P2 O[P@@](=O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3FIU - POP H2 O7 P2 O[P@@](=O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3FIU - POP H2 O7 P2 O[P@@](=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AMP; Similar ligands found: 382
No: Ligand ECFP6 Tc MDL keys Tc
1 AMP 1 1
2 A 1 1
3 A2D 0.833333 0.943662
4 ABM 0.833333 0.943662
5 ADP 0.823529 0.971429
6 AMP MG 0.818182 0.916667
7 A12 0.808824 0.931507
8 AP2 0.808824 0.931507
9 BA3 0.808824 0.943662
10 SRA 0.80303 0.944444
11 AP5 0.797101 0.943662
12 B4P 0.797101 0.943662
13 ATP 0.788732 0.971429
14 AN2 0.785714 0.957747
15 APC 0.777778 0.931507
16 AQP 0.777778 0.971429
17 5FA 0.777778 0.971429
18 ADX 0.774648 0.848101
19 CA0 0.774648 0.917808
20 M33 0.774648 0.930556
21 AU1 0.774648 0.944444
22 ACP 0.763889 0.944444
23 50T 0.763889 0.957747
24 25A 0.75641 0.971429
25 AR6 0.753425 0.943662
26 APR 0.753425 0.943662
27 PRX 0.753425 0.917808
28 ADP MG 0.75 0.90411
29 TAT 0.746667 0.931507
30 ACQ 0.746667 0.944444
31 RBY 0.743243 0.905405
32 SAP 0.743243 0.918919
33 AGS 0.743243 0.918919
34 ADV 0.743243 0.905405
35 AD9 0.743243 0.944444
36 BEF ADP 0.739726 0.88
37 ADP BEF 0.739726 0.88
38 ANP 0.723684 0.944444
39 ADP PO3 0.72 0.942857
40 5AL 0.714286 0.930556
41 SON 0.712329 0.931507
42 ATP MG 0.710526 0.90411
43 ADN 0.709677 0.842857
44 XYA 0.709677 0.842857
45 RAB 0.709677 0.842857
46 ATF 0.705128 0.931507
47 GAP 0.701299 0.891892
48 A22 0.7 0.957747
49 SRP 0.696203 0.905405
50 7D5 0.691176 0.902778
51 A3P 0.684932 0.971014
52 A2P 0.684932 0.956522
53 ALF ADP 0.683544 0.868421
54 ADP ALF 0.683544 0.868421
55 ADQ 0.682927 0.917808
56 MAP 0.679012 0.918919
57 ANP MG 0.675 0.893333
58 ADP VO4 0.675 0.930556
59 VO4 ADP 0.675 0.930556
60 5SV 0.670732 0.87013
61 OOB 0.670732 0.930556
62 8QN 0.670732 0.930556
63 PTJ 0.670588 0.894737
64 AOC 0.666667 0.84507
65 4AD 0.662651 0.893333
66 A1R 0.662651 0.881579
67 AMO 0.662651 0.905405
68 PAJ 0.662651 0.858974
69 5N5 0.661538 0.816901
70 DAL AMP 0.658537 0.90411
71 IMO 0.657534 0.928571
72 DLL 0.654762 0.930556
73 AHX 0.654762 0.87013
74 00A 0.654762 0.881579
75 5AS 0.653333 0.776471
76 5CD 0.651515 0.828571
77 A4D 0.651515 0.816901
78 3UK 0.647059 0.917808
79 ADP BMA 0.647059 0.891892
80 OAD 0.647059 0.917808
81 25L 0.643678 0.957747
82 PR8 0.639535 0.848101
83 WAQ 0.639535 0.881579
84 LAD 0.639535 0.858974
85 DTA 0.637681 0.808219
86 V3L 0.6375 0.971429
87 3DH 0.633803 0.794521
88 BIS 0.632184 0.906667
89 TXA 0.632184 0.905405
90 FYA 0.632184 0.930556
91 ME8 0.632184 0.8375
92 1ZZ 0.632184 0.8375
93 3OD 0.632184 0.917808
94 NB8 0.632184 0.87013
95 MTA 0.628571 0.794521
96 3AM 0.625 0.956522
97 EP4 0.623188 0.773333
98 A A 0.62069 0.971429
99 9SN 0.617977 0.87013
100 M2T 0.614286 0.753247
101 JB6 0.613636 0.881579
102 YAP 0.611111 0.893333
103 FA5 0.611111 0.905405
104 MYR AMP 0.606742 0.814815
105 G5A 0.604938 0.776471
106 XAH 0.604396 0.8375
107 4UV 0.597826 0.893333
108 71V 0.597403 0.906667
109 ATP A A A 0.593407 0.929577
110 PAP 0.592593 0.957143
111 G3A 0.591398 0.894737
112 2AM 0.589041 0.942857
113 5X8 0.5875 0.783784
114 TYR AMP 0.586957 0.88
115 6RE 0.586667 0.779221
116 6C6 0.585366 0.905405
117 4UU 0.585106 0.893333
118 G5P 0.585106 0.894737
119 AFH 0.585106 0.858974
120 7D3 0.584416 0.878378
121 A5A 0.583333 0.804878
122 TSB 0.581395 0.795181
123 AMP DBH 0.580645 0.891892
124 2A5 0.580247 0.891892
125 DSH 0.578947 0.74359
126 TAD 0.578947 0.858974
127 GTA 0.578947 0.860759
128 6IA 0.578313 0.858974
129 SSA 0.576471 0.776471
130 C2R 0.575342 0.876712
131 AMZ 0.575342 0.888889
132 7D4 0.575 0.878378
133 PGS 0.575 0.857143
134 ZAS 0.573333 0.786667
135 ATR 0.573171 0.942857
136 LAQ 0.572917 0.8375
137 PPS 0.571429 0.848101
138 AAM 0.571429 1
139 AIR 0.571429 0.927536
140 J7C 0.571429 0.789474
141 A3N 0.571429 0.783784
142 54H 0.569767 0.785714
143 VMS 0.569767 0.785714
144 52H 0.569767 0.776471
145 7MD 0.568421 0.8375
146 AR6 AR6 0.568421 0.916667
147 48N 0.56701 0.87013
148 YLP 0.56701 0.817073
149 OVE 0.565789 0.90411
150 UPA 0.565657 0.881579
151 2SA 0.564706 0.905405
152 S4M 0.564103 0.682353
153 53H 0.563218 0.776471
154 5CA 0.563218 0.776471
155 4UW 0.561224 0.858974
156 NAI 0.561224 0.881579
157 TXD 0.561224 0.881579
158 6V0 0.561224 0.87013
159 UP5 0.561224 0.893333
160 DND 0.561224 0.905405
161 NXX 0.561224 0.905405
162 NAX 0.561224 0.848101
163 NIA 0.56 0.820513
164 D5M 0.558442 0.902778
165 DA 0.558442 0.902778
166 MAO 0.556962 0.777778
167 AHZ 0.556701 0.814815
168 ARG AMP 0.556701 0.82716
169 ITT 0.555556 0.915493
170 TXE 0.555556 0.881579
171 TYM 0.555556 0.905405
172 OMR 0.555556 0.82716
173 5AD 0.552239 0.768116
174 A2R 0.551724 0.957747
175 LPA AMP 0.55102 0.814815
176 DSZ 0.550562 0.776471
177 LSS 0.550562 0.758621
178 NSS 0.550562 0.776471
179 YLB 0.55 0.817073
180 YLC 0.55 0.8375
181 4TC 0.55 0.87013
182 AP0 0.55 0.87013
183 P5A 0.549451 0.741573
184 139 0.54902 0.848101
185 A4P 0.544554 0.819277
186 NVA LMS 0.544444 0.758621
187 GJV 0.544304 0.769231
188 7D7 0.544118 0.763889
189 A7D 0.54321 0.797297
190 ALF ADP 3PG 0.54 0.835443
191 LA8 ALF 3PG 0.54 0.835443
192 AF3 ADP 3PG 0.54 0.835443
193 6K6 0.539326 0.957143
194 IOT 0.539216 0.829268
195 LEU LMS 0.538462 0.758621
196 A3G 0.538462 0.797297
197 A5D 0.535714 0.808219
198 7MC 0.534653 0.817073
199 T5A 0.533981 0.817073
200 YLA 0.533981 0.817073
201 ADJ 0.533981 0.82716
202 KAA 0.532609 0.75
203 GSU 0.532609 0.776471
204 7RA 0.531646 0.985507
205 SFG 0.53012 0.77027
206 SAH 0.529412 0.763158
207 AYB 0.528846 0.807229
208 CNA 0.528846 0.905405
209 N6P 0.527473 0.942029
210 8BR 0.525 0.931507
211 Y3J 0.521127 0.746479
212 YSA 0.520833 0.776471
213 7RP 0.518987 0.955882
214 G A A A 0.518868 0.87013
215 COD 0.518868 0.788235
216 BTX 0.518868 0.839506
217 NAD 0.518868 0.930556
218 MHZ 0.518072 0.714286
219 SA8 0.517647 0.725
220 6AD 0.517241 0.883117
221 DZD 0.514019 0.858974
222 BT5 0.514019 0.829268
223 RMB 0.5125 0.898551
224 SAI 0.511628 0.753247
225 AV2 0.511364 0.890411
226 NAD IBO 0.509434 0.868421
227 A3D 0.509259 0.917808
228 A3S 0.506024 0.808219
229 SAM 0.505747 0.707317
230 3AT 0.505747 0.943662
231 SMM 0.505618 0.702381
232 NA7 0.505376 0.931507
233 4TA 0.504673 0.804878
234 5GP 0.5 0.905405
235 EEM 0.5 0.707317
236 NEC 0.5 0.743243
237 AAT 0.5 0.725
238 G 0.5 0.905405
239 YLY 0.495495 0.807229
240 M24 0.495495 0.848101
241 7C5 0.494949 0.815789
242 DAT 0.494118 0.878378
243 A3T 0.494118 0.819444
244 FAI 0.493827 0.888889
245 P2P 0.493827 0.928571
246 1RB 0.493671 0.911765
247 NAE 0.491071 0.893333
248 NAJ PZO 0.490909 0.846154
249 TM1 0.489583 0.771084
250 A6D 0.489362 0.740741
251 PO4 PO4 A A A A PO4 0.489362 0.901408
252 A A A 0.489362 0.90411
253 S7M 0.488889 0.707317
254 DTP 0.488636 0.878378
255 101 0.4875 0.902778
256 RBZ 0.4875 0.873239
257 EAD 0.486957 0.848101
258 NAQ 0.486726 0.87013
259 U A G G 0.486239 0.881579
260 4YB 0.485149 0.758621
261 NDE 0.483051 0.931507
262 N0B 0.482456 0.817073
263 ZID 0.482456 0.917808
264 WSA 0.480769 0.785714
265 RGT 0.479592 0.931507
266 ARU 0.478723 0.835443
267 GGZ 0.478261 0.8
268 JLN 0.47561 0.863014
269 ANZ 0.475248 0.820513
270 ACK 0.475 0.885714
271 QQY 0.475 0.837838
272 NAJ PYZ 0.473684 0.848101
273 S8M 0.473118 0.779221
274 GEK 0.473118 0.734177
275 AVV 0.473118 0.87013
276 3AD 0.472973 0.828571
277 A U 0.471698 0.868421
278 P1H 0.470588 0.82716
279 AMP NAD 0.469565 0.88
280 0UM 0.468085 0.716049
281 RVP 0.467532 0.847222
282 649 0.466667 0.741573
283 Z5A 0.465517 0.776471
284 PMO 0.464286 0.873239
285 SXZ 0.463918 0.707317
286 62X 0.463158 0.682353
287 QQX 0.4625 0.826667
288 2VA 0.45977 0.797297
289 IMP 0.458824 0.90411
290 K15 0.458333 0.698795
291 CC5 0.458333 0.84058
292 AS 0.457831 0.855263
293 DDS 0.455556 0.851351
294 V1N 0.455446 0.943662
295 NJP 0.454545 0.918919
296 93A 0.453488 0.804878
297 G7M 0.453488 0.87013
298 7DD 0.453488 0.957143
299 3D1 0.453333 0.77027
300 3L1 0.453333 0.77027
301 NDC 0.45082 0.87013
302 FB0 0.45082 0.781609
303 0WD 0.45045 0.894737
304 26A 0.447368 0.76
305 2FA 0.447368 0.810811
306 CMP 0.447059 0.927536
307 2BA 0.447059 0.914286
308 D3Y 0.446809 0.786667
309 SO8 0.444444 0.786667
310 APU 0.444444 0.893333
311 VRT 0.444444 0.766234
312 KB1 0.444444 0.716049
313 FDA 0.443548 0.809524
314 PUA 0.443478 0.858974
315 ODP 0.441441 0.883117
316 6FA 0.44 0.817073
317 RP1 0.439024 0.864865
318 SP1 0.439024 0.864865
319 103 0.439024 0.861111
320 3NZ 0.438776 0.779221
321 7DT 0.438202 0.957143
322 U G A 0.436508 0.8375
323 NDP 0.436364 0.894737
324 NPW 0.436364 0.860759
325 MTP 0.434211 0.727273
326 NVA 2AD 0.433333 0.74026
327 FAD 0.433071 0.82716
328 SFD 0.433071 0.712766
329 FAS 0.433071 0.82716
330 TXP 0.432432 0.894737
331 IRN 0.432432 0.867647
332 NZQ 0.432432 0.883117
333 ZZB 0.432432 0.792683
334 FNK 0.430769 0.781609
335 62F 0.430769 0.8375
336 128 0.429907 0.752941
337 PLP AAD 0.429825 0.758621
338 PAX 0.428571 0.82716
339 6MD 0.428571 0.805556
340 1DA 0.428571 0.842857
341 SLU 0.426087 0.767442
342 XNP 0.424779 0.848101
343 12D 0.424528 0.761905
344 5F1 0.423077 0.72973
345 ETB 0.422414 0.809524
346 DCA 0.422414 0.8
347 WMP 0.421053 0.864865
348 GUO 0.421053 0.864865
349 FAY 0.416667 0.8375
350 38Y 0.415929 0.804878
351 5J9 0.415842 0.728395
352 NAD BBN 0.415385 0.817073
353 0T1 0.415254 0.8
354 COA 0.415254 0.8
355 KH3 0.415094 0.690476
356 FMP 0.413793 0.871429
357 U A C C 0.413793 0.857143
358 N01 0.413793 0.90411
359 RFL 0.413534 0.797619
360 NMN AMP PO4 0.412281 0.868421
361 NAD CJ3 0.409091 0.788235
362 GDP 0.408602 0.893333
363 GP2 0.408602 0.858974
364 NAP 0.408333 0.944444
365 NOC 0.407895 0.760563
366 CNV FAD 0.407407 0.770115
367 2ER 0.405941 0.831169
368 1PR 0.405941 0.820513
369 P5F 0.405797 0.8
370 TAP 0.404959 0.906667
371 CAO 0.404959 0.772727
372 AMX 0.404959 0.809524
373 COS 0.404959 0.781609
374 30N 0.404959 0.731183
375 XMP 0.402299 0.891892
376 G2P 0.402062 0.858974
377 APC G U 0.401709 0.833333
378 U A A U 0.401639 0.906667
379 CMX 0.401639 0.8
380 SCO 0.401639 0.8
381 NA0 0.401639 0.931507
382 F2N 0.4 0.790698
Ligand no: 2; Ligand: POP; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 POP 1 1
2 2HP 0.538462 0.772727
3 PI 0.538462 0.761905
4 PPV 0.466667 0.909091
5 DPO 0.466667 0.772727
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3FIU; Ligand: AMP; Similar sites found: 68
This union binding pocket(no: 1) in the query (biounit: 3fiu.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5J75 6GQ 0.009627 0.40874 2.00803
2 3AIA SAM 0.01369 0.40141 2.36967
3 1VJY 460 0.009697 0.42906 2.40964
4 5F7J ADE 0.005423 0.42576 2.40964
5 1U1F 183 0.04153 0.40888 2.40964
6 1MJH ATP 0.0006433 0.47356 2.46914
7 3ZF8 GDP 0.002307 0.43097 2.81124
8 5UR1 YY9 0.01429 0.42999 2.81124
9 1Q8Y ADP 0.01486 0.40531 2.81124
10 1F0X FAD 0.04237 0.40332 2.81124
11 5IH9 6BF 0.03976 0.40092 2.81124
12 4BVA NDP 0.02534 0.40778 2.98507
13 2IO8 ADP 0.009793 0.41915 3.21285
14 4Y7E BMA BMA BMA 0.02716 0.40404 3.21285
15 2XVD AS6 0.02745 0.40239 3.21285
16 3KRR DQX 0.02663 0.42915 3.61446
17 5XDT MB3 0.0318 0.40492 3.61446
18 5XDT GDP 0.02307 0.40492 3.61446
19 3EUT DCR 0.02581 0.40245 3.61446
20 4AUT FAD 0.04533 0.40177 3.61446
21 4B2Z P5S 0.04441 0.40132 3.61446
22 1O97 AMP 0.01082 0.44777 4.01606
23 3G5D 1N1 0.01111 0.44185 4.01606
24 1Z2I NAD 0.01434 0.41664 4.01606
25 1X54 4AD 0.02077 0.40445 4.01606
26 5MX4 HPA 0.003309 0.43598 4.29185
27 2BP1 NDP 0.02744 0.40929 4.81928
28 2C91 NAP 0.02963 0.40756 4.81928
29 1NAA 6FA 0.04581 0.4058 4.81928
30 2CJU PHX 0.01514 0.4021 4.95868
31 1CT9 AMP 0.001236 0.43844 5.22088
32 5AHW CMP 0.0003424 0.48024 5.44218
33 3RK1 ATP 0.002134 0.43763 5.48523
34 4L2I NAD 0.004326 0.46094 5.62249
35 4L2I FAD 0.006396 0.44299 5.62249
36 5VC5 96M 0.02139 0.40657 5.62249
37 4RF7 ARG 0.01551 0.40465 5.62249
38 3LGS SAH 0.009591 0.40444 5.62249
39 4DQ2 BTX 0.02388 0.40671 6.0241
40 1EFV AMP 0.002473 0.48306 6.4257
41 1EFV FAD 0.002473 0.48306 6.4257
42 5LXC 7AA 0.007257 0.41244 6.4257
43 3C3N FMN 0.02588 0.41164 6.4257
44 4KBA 1QM 0.009436 0.40679 6.4257
45 2C5S AMP 0.00009526 0.48715 6.82731
46 1K97 CIR 0.004518 0.45298 6.82731
47 1K97 ASP 0.004518 0.45298 6.82731
48 3EYA TDP 0.0265 0.40054 6.82731
49 4M7V RAR 0.04764 0.40488 7.42857
50 1Q19 APC 0.000116 0.50979 8.03213
51 1O94 AMP 0.01064 0.41056 8.03213
52 5GT9 NAP 0.02339 0.40956 8.43373
53 1KOR SIN 0.004818 0.48209 10.4418
54 1KOR ANP 0.004919 0.48209 10.4418
55 1KOR ARG 0.004818 0.48209 10.4418
56 3G6K FAD 0.009495 0.43074 10.4418
57 3G6K POP 0.009759 0.42767 10.4418
58 2J9D AMP 0.01031 0.40932 10.9244
59 4LS7 1X9 0.01162 0.40483 11.245
60 3SIG AR6 0.01916 0.40158 11.245
61 2OQ2 A3P 0.0006494 0.47336 11.6466
62 5UDS ATP 0.0001087 0.49284 12.0482
63 1JGT APC 0.001841 0.46566 13.253
64 1JGT CMA 0.001804 0.46473 13.253
65 3HGM ATP 0.0002762 0.49145 14.2857
66 1GPM AMP 0.0000003201 0.50242 19.2771
67 4YEF 4CQ 0.02456 0.40848 20.2247
68 3DLA NXX 0.000000264 0.67312 23.6948
Pocket No.: 2; Query (leader) PDB : 3FIU; Ligand: AMP; 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: 3fiu.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3FIU; Ligand: POP; Similar sites found: 199
This union binding pocket(no: 3) in the query (biounit: 3fiu.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5BV6 35G 0.02941 0.40196 None
2 5H56 TYD 0.04145 0.40495 1.02564
3 5H56 ADP 0.04145 0.40495 1.02564
4 3R96 AMP 0.01028 0.44565 1.06383
5 3R96 ACO 0.01028 0.44565 1.06383
6 1P72 ADP 0.03668 0.41016 1.20482
7 3A0T ADP 0.01783 0.40995 1.97368
8 3FUR Z12 0.02286 0.43346 2.00803
9 3V2U ATP 0.007458 0.43156 2.00803
10 3UOY NAP 0.04343 0.42499 2.00803
11 2PTZ PAH 0.01144 0.41697 2.00803
12 1EBG PAH 0.01771 0.40838 2.00803
13 4HA9 NDP 0.0349 0.40269 2.00803
14 1KPH SAH 0.02786 0.40077 2.00803
15 1H9G COA MYR 0.01254 0.42964 2.05761
16 1S7N COA 0.00587 0.43863 2.1978
17 2BSA NAP 0.01956 0.44203 2.40964
18 2BSA FAD 0.01901 0.44203 2.40964
19 5E72 SAM 0.009271 0.43046 2.40964
20 3QXQ CE5 0.01185 0.41515 2.40964
21 1D2E GDP 0.01793 0.40419 2.40964
22 3ZOA ACR 0.01306 0.40347 2.40964
23 2VF7 ADP 0.01819 0.40205 2.40964
24 5FSY AR6 0.001071 0.47957 2.81124
25 1NJR XYL 0.003642 0.45848 2.81124
26 2BLE 5GP 0.0136 0.42991 2.81124
27 1FND FAD 0.01849 0.42792 2.81124
28 1FND A2P 0.01849 0.42792 2.81124
29 1J0D 5PA 0.01617 0.42341 2.81124
30 2C77 GNP 0.02264 0.40562 2.81124
31 3MB5 SAM 0.03077 0.40451 2.81124
32 2C78 GNP 0.02639 0.40389 2.81124
33 1GAW FAD 0.02278 0.40298 2.81124
34 2EIX FAD 0.009427 0.43905 2.88066
35 1D2N ANP 0.003854 0.44906 2.94118
36 4M9Q GNP 0.02711 0.40327 3.0837
37 1AOE GW3 0.02292 0.432 3.125
38 1U3G THF 0.01876 0.41707 3.1746
39 1QM5 GLC GLC GLC PO4 SGC GLC 0.00414 0.46756 3.21285
40 1YRB GDP 0.003581 0.44369 3.21285
41 1QM5 PLP 0.03166 0.42549 3.21285
42 3QKT ANP 0.0161 0.41711 3.21285
43 4YHB FAD 0.02683 0.41367 3.21285
44 5TB5 GDP 0.0154 0.41196 3.24324
45 2QQ0 THM 0.02604 0.41445 3.26087
46 2QQ0 ANP 0.02866 0.41445 3.26087
47 2QQ0 TMP 0.03201 0.41128 3.26087
48 4IQY AR6 0.001616 0.47299 3.33333
49 2FAV APR 0.002751 0.46185 3.33333
50 4KM2 TOP 0.03651 0.41296 3.35196
51 4KM2 ATR 0.03481 0.41296 3.35196
52 1HDO NAP 0.02545 0.4246 3.39806
53 5E5U MLI 0.00675 0.41842 3.51759
54 2CHG ANP 0.017 0.41167 3.53982
55 3EWR APR 0.008126 0.43547 3.57143
56 2G86 UMP 0.01822 0.44463 3.61446
57 4C3Y FAD 0.01873 0.43842 3.61446
58 3RJ5 NAD 0.02422 0.42453 3.61446
59 1G7C 5GP 0.01356 0.4103 3.61446
60 2QTZ NAP 0.04797 0.40824 3.61446
61 2QTZ FAD 0.01995 0.40824 3.61446
62 3PY5 AMP 0.02015 0.40444 3.61446
63 1GR0 NAD 0.04949 0.40091 3.61446
64 3EWP APR 0.01559 0.42031 3.9548
65 4L2H AR6 AR6 0.002515 0.47426 4.01606
66 2BIF SIN 0.01944 0.43299 4.01606
67 2BIF ANP 0.01347 0.43299 4.01606
68 1D8C GLV 0.009024 0.42682 4.01606
69 2V6G NAP 0.01668 0.42575 4.01606
70 4R5M 4NO 0.02661 0.41427 4.01606
71 4R5M NAP 0.02416 0.41427 4.01606
72 1CR1 TTP 0.02059 0.40912 4.01606
73 5LTJ ADP 0.01443 0.40867 4.01606
74 4P32 ADP 0.02533 0.40363 4.01606
75 1FP6 ADP 0.02535 0.40047 4.01606
76 2CXS F6P 0.03079 0.40023 4.01606
77 3KAP FMN 0.02883 0.40118 4.08163
78 4G5G GDP 0.01459 0.40429 4.31472
79 2W9S NDP 0.02757 0.41535 4.34783
80 2KCE D16 0.01302 0.44497 4.41767
81 2Z7I 742 0.03267 0.43602 4.41767
82 3QOX SAH 0.008357 0.43593 4.41767
83 5X40 ACP 0.007533 0.43416 4.41767
84 4D42 W0I 0.02418 0.43208 4.41767
85 4D42 NAP 0.02418 0.43208 4.41767
86 1XPK CAA 0.019 0.41584 4.41767
87 1XPK HMG 0.02978 0.40962 4.41767
88 1XPM CAA 0.02709 0.40932 4.41767
89 1XPM HMG 0.02915 0.40887 4.41767
90 2VOH CIT 0.008304 0.41047 4.4586
91 1R2Q GNP 0.01194 0.43752 4.70588
92 3GD4 NAD 0.02619 0.44759 4.81928
93 3GD4 FAD 0.02322 0.44315 4.81928
94 1X6V ADP 0.008095 0.44303 4.81928
95 3OJF IMJ 0.01708 0.43498 4.81928
96 5WRJ A3P 0.01858 0.41984 4.81928
97 2XAU ADP 0.01661 0.40565 4.81928
98 3ZSN MIV 0.04945 0.40182 4.81928
99 3MTW M3R 0.02138 0.40139 4.81928
100 5FII PHE 0.01387 0.4007 4.90196
101 1FM9 570 0.04741 0.40171 5.04202
102 1MO9 KPC 0.02844 0.44468 5.22088
103 4WQM FAD 0.02612 0.40914 5.22088
104 2QCD U5P 0.0239 0.40202 5.22088
105 1G16 GDP 0.01873 0.41209 5.29412
106 1F2U ATP 0.02821 0.4052 5.36913
107 1FHX 4IP 0.01877 0.40215 5.42636
108 3RK1 ATP 0.001049 0.46957 5.48523
109 3RK0 AMP 0.004472 0.43373 5.48523
110 3TDH AMP 0.01906 0.41047 5.58659
111 2E5V FAD 0.02396 0.43206 5.62249
112 2BL9 CP6 0.03412 0.41935 5.62249
113 1OXV ANP 0.008645 0.4126 5.62249
114 2RGH FAD 0.04577 0.41122 5.62249
115 1N62 FAD 0.04773 0.40434 5.62249
116 5L3W GDP 0.02282 0.40033 5.62249
117 4G1V FAD 0.04497 0.40022 5.62249
118 1M7G ADX 0.02844 0.4294 5.6872
119 1M7G AV2 0.01661 0.4294 5.6872
120 1M7G ADP 0.03278 0.40945 5.6872
121 4L9Z OXL 0.001149 0.4896 6.0241
122 4L9Z COA 0.001218 0.4896 6.0241
123 3KDU NKS 0.01828 0.4384 6.0241
124 1RYI FAD 0.04686 0.41037 6.0241
125 2GAG FOA 0.04084 0.41692 6.4257
126 1FFU CDP 0.03606 0.41458 6.4257
127 3UWV 2PG 0.03084 0.40076 6.4257
128 3RLF ANP 0.03006 0.40037 6.4257
129 4XYM COA 0.04072 0.41507 6.52174
130 1ZUI SKM 0.03995 0.41105 6.54762
131 2PEZ DAT 0.01019 0.44062 6.70391
132 1K97 CIR 0.02022 0.43323 6.82731
133 1K97 ASP 0.02022 0.43323 6.82731
134 1IHU ADP 0.0109 0.42854 6.82731
135 1IHU AF3 0.01281 0.42366 6.82731
136 4EIL NDP 0.04189 0.40579 6.82731
137 3TKY SAH 0.02477 0.4027 6.82731
138 1EWY FAD 0.006319 0.44258 7.14286
139 2PAV ATP 0.02163 0.41316 7.19424
140 2OFW ADX 0.006193 0.45738 7.21154
141 1BZL FAD 0.02669 0.45374 7.22892
142 3IA4 NDP 0.03572 0.41391 7.40741
143 2MBR FAD 0.03806 0.42552 7.63052
144 2MBR EPU 0.04512 0.42097 7.63052
145 4JB1 FAD 0.03516 0.42076 7.63052
146 4JB1 NAP 0.03417 0.42076 7.63052
147 2O2C G6Q 0.02015 0.4043 7.63052
148 1W4R TTP 0.02609 0.41297 7.69231
149 1Q19 APC 0.00001277 0.58585 8.03213
150 2RC5 FAD 0.006721 0.43484 8.03213
151 4L80 OXL 0.003813 0.42728 8.03213
152 1K6M AGS 0.01235 0.42363 8.03213
153 4K81 GTP 0.03438 0.40632 8.03213
154 3WXM GTP 0.03534 0.40209 8.03213
155 2VBU CDP 0.01744 0.42967 8.08823
156 1A8R GTP 0.003767 0.44711 8.1448
157 3OZV FAD 0.03041 0.42239 8.43373
158 3OZV ECN 0.04604 0.41599 8.43373
159 2VUT NAD 0.01904 0.41377 8.43373
160 4DQL NAP 0.04527 0.41202 8.43373
161 1TI7 NAP 0.02401 0.40759 8.43373
162 4DQL FAD 0.03494 0.40401 8.43373
163 2QWO ADP 0.02724 0.40241 8.69565
164 2R4J 13P 0.04608 0.41956 8.83534
165 2R4J FAD 0.04608 0.41956 8.83534
166 3QF7 ANP 0.01582 0.41118 8.83534
167 2BFR ADP 0.01296 0.42407 8.85417
168 1KQN NAD 0.03346 0.41548 9.23695
169 3B5J 12D 0.009678 0.40693 9.46502
170 4HKP 16B 0.01531 0.41129 9.63855
171 1KK8 BEF ADP 0.004558 0.44139 9.74026
172 3G6K FAD 0.0002764 0.52749 10.4418
173 1KOR ANP 0.003484 0.50656 10.4418
174 3G6K POP 0.003071 0.46761 10.4418
175 1KOR SIN 0.02399 0.45474 10.4418
176 1KOR ARG 0.02399 0.45474 10.4418
177 1F20 FAD 0.02186 0.40932 10.4418
178 4U00 ADP 0.005592 0.40531 10.6557
179 3ZM6 2GN 0.002065 0.46733 11.245
180 3ICC NAP 0.04622 0.40004 11.245
181 2OQ2 A3P 0.008372 0.43387 11.6466
182 5UDS ATP 0.001453 0.40332 12.0482
183 5FAL COA 0.03013 0.43514 12.4498
184 5FAL SKT 0.03013 0.43514 12.4498
185 1FWV SGA MAG FUC 0.006996 0.40191 12.6866
186 3C3Y SAH 0.02179 0.40621 13.0802
187 1JGT APC 0.001207 0.49078 13.253
188 1JGT CMA 0.001242 0.48883 13.253
189 1B0U ATP 0.0135 0.41394 14.4578
190 1OS1 PYR 0.02232 0.41658 14.8594
191 1OS1 ATP 0.03247 0.40713 14.8594
192 4WZA ACP 0.00823 0.46556 15.6627
193 4WZA ADP 0.008592 0.46394 15.6627
194 1Z06 GNP 0.02498 0.41231 16.9312
195 5GXU FAD 0.0453 0.40066 18.0723
196 5HR5 ADP 0.009578 0.42314 20.4819
197 1XKV ATP 0.00409 0.43699 20.8835
198 2FLI DX5 0.009056 0.43014 21.8182
199 2J59 GTP 0.03593 0.40089 25.9036
Pocket No.: 4; Query (leader) PDB : 3FIU; Ligand: POP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3fiu.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3FIU; Ligand: POP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3fiu.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3FIU; Ligand: AMP; Similar sites found: 7
This union binding pocket(no: 6) in the query (biounit: 3fiu.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4BVA T3 0.039 0.40523 2.98507
2 1Q0S SAH 0.02403 0.40128 3.861
3 3HVJ 705 0.03663 0.40572 4.52489
4 1NAA ABL 0.03826 0.41664 4.81928
5 2X2M X2M 0.02 0.40067 5.22088
6 5HCY 60D 0.03825 0.40832 6.4257
7 5FUI APY 0.001569 0.48041 6.81818
Pocket No.: 7; Query (leader) PDB : 3FIU; Ligand: AMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3fiu.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3FIU; Ligand: POP; Similar sites found: 30
This union binding pocket(no: 8) in the query (biounit: 3fiu.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5BR4 NAD 0.02466 0.42077 2.40964
2 3WQT ANP 0.02978 0.40248 2.40964
3 1D8T GDP 0.01701 0.40081 2.40964
4 1KDO C 0.01851 0.41122 3.0837
5 3RWO GDP 0.03301 0.40116 3.78378
6 3U6K GDP 0.01729 0.40098 4.31472
7 3QFS FAD 0.03393 0.4203 4.81928
8 3QFS NAP 0.03393 0.4203 4.81928
9 1Y63 ADP 0.01707 0.40271 5.43478
10 2JLR ANP 0.01973 0.40148 5.62249
11 2IRY DGT 0.02391 0.40095 5.62249
12 3IIJ ADP 0.01626 0.40442 6.11111
13 3H86 AP5 0.04699 0.40647 6.25
14 5KY3 GFB 0.02618 0.40612 6.4257
15 2AWN ADP 0.003472 0.40259 6.4257
16 1KSH GDP 0.02533 0.40385 6.45161
17 5EE5 GTP 0.02966 0.4013 6.57277
18 5G5G FAD 0.03538 0.41803 6.82731
19 1SM4 FAD 0.02132 0.40518 6.82731
20 5FJN FAD 0.04837 0.4133 7.22892
21 4M7V NAP 0.04637 0.40662 7.42857
22 3ZOK NAD 0.0317 0.40855 7.63052
23 1WUR 8DG 0.02772 0.40226 8.18182
24 3GP3 SEP 0.01164 0.40546 8.43373
25 3BXF 13P 0.02087 0.40171 9.23695
26 2F5Z FAD 0.04654 0.41104 9.375
27 1G3Q ADP 0.02234 0.40135 10.1266
28 2Q3O FMN 0.02841 0.40573 10.4418
29 1XHC FAD 0.02807 0.4224 12.8514
30 2X77 GDP 0.01933 0.40235 19.5767
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