Receptor
PDB id Resolution Class Description Source Keywords
1NUS 2.2 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC NMN/NAMN ADENYLYLTRANSF COMPLEXED WITH ATP ANALOG AND NMN HOMO SAPIENS NAD BIOSYNTHESIS MITOCHONDRIA PYRIDINE ADENYLYLTRANSFERASECATALYSIS TRANSFERASE
Ref.: STRUCTURAL CHARACTERIZATION OF A HUMAN CYTOSOLIC NM ADENYLYLTRANSFERASE AND IMPLICATION IN HUMAN NAD BIOSYNTHESIS J.BIOL.CHEM. V. 278 13503 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
APC A:501;
B:502;
Valid;
Valid;
none;
none;
submit data
505.208 C11 H18 N5 O12 P3 c1nc(...
NMN A:401;
B:402;
Valid;
Valid;
none;
none;
submit data
335.227 C11 H16 N2 O8 P c1cc(...
SO4 A:301;
B:302;
Invalid;
Invalid;
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
1NUS 2.2 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC NMN/NAMN ADENYLYLTRANSF COMPLEXED WITH ATP ANALOG AND NMN HOMO SAPIENS NAD BIOSYNTHESIS MITOCHONDRIA PYRIDINE ADENYLYLTRANSFERASECATALYSIS TRANSFERASE
Ref.: STRUCTURAL CHARACTERIZATION OF A HUMAN CYTOSOLIC NM ADENYLYLTRANSFERASE AND IMPLICATION IN HUMAN NAD BIOSYNTHESIS J.BIOL.CHEM. V. 278 13503 2003
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 1NUS - NMN C11 H16 N2 O8 P c1cc(c[n+]....
2 1NUP - NMN C11 H16 N2 O8 P c1cc(c[n+]....
3 1NUT - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
4 1NUU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1NUQ - NXX C21 H27 N6 O15 P2 c1cc(c[n+]....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 211 families.
1 1NUS - NMN C11 H16 N2 O8 P c1cc(c[n+]....
2 1NUP - NMN C11 H16 N2 O8 P c1cc(c[n+]....
3 1NUT - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
4 1NUU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1NUQ - NXX C21 H27 N6 O15 P2 c1cc(c[n+]....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 1NUS - NMN C11 H16 N2 O8 P c1cc(c[n+]....
2 1NUP - NMN C11 H16 N2 O8 P c1cc(c[n+]....
3 1NUT - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
4 1NUU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1NUQ - NXX C21 H27 N6 O15 P2 c1cc(c[n+]....
6 1KR2 - TAD C20 H27 N7 O13 P2 S c1c(nc(s1)....
7 1KQO - DND C21 H27 N6 O15 P2 c1cc(c[n+]....
8 1KQN - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: APC; Similar ligands found: 330
No: Ligand ECFP6 Tc MDL keys Tc
1 APC 1 1
2 ACQ 0.831169 0.986301
3 A12 0.821918 1
4 AP2 0.821918 1
5 ADV 0.805195 0.972973
6 RBY 0.805195 0.972973
7 A 0.777778 0.931507
8 AMP 0.777778 0.931507
9 ADP 0.763158 0.958904
10 ACP 0.75641 0.986301
11 A2D 0.746667 0.932432
12 AP5 0.74026 0.932432
13 B4P 0.74026 0.932432
14 ATP 0.734177 0.958904
15 BA3 0.727273 0.932432
16 AQP 0.725 0.958904
17 5FA 0.725 0.958904
18 ABM 0.723684 0.881579
19 AMP MG 0.710526 0.857143
20 AN2 0.708861 0.945946
21 M33 0.7 0.92
22 TAT 0.698795 0.921053
23 SRA 0.697368 0.883117
24 AR6 0.682927 0.932432
25 APR 0.682927 0.932432
26 ADP MG 0.679012 0.87013
27 CA0 0.679012 0.907895
28 AU1 0.679012 0.933333
29 ADX 0.679012 0.841463
30 ANP 0.678571 0.933333
31 ADP PO3 0.674699 0.905405
32 SAP 0.674699 0.909091
33 AGS 0.674699 0.909091
34 AD9 0.674699 0.933333
35 BEF ADP 0.670732 0.848101
36 50T 0.670732 0.92
37 ADP BEF 0.670732 0.848101
38 ATP MG 0.666667 0.87013
39 PRX 0.662651 0.858974
40 ATF 0.643678 0.921053
41 MAP 0.640449 0.909091
42 A22 0.640449 0.945946
43 GAP 0.639535 0.858974
44 TAD 0.632653 0.923077
45 5AL 0.632184 0.894737
46 SON 0.626506 0.946667
47 ADQ 0.626374 0.907895
48 ADP ALF 0.625 0.8375
49 ALF ADP 0.625 0.8375
50 ANP MG 0.617977 0.860759
51 SRP 0.617977 0.896104
52 ADP VO4 0.617977 0.894737
53 VO4 ADP 0.617977 0.894737
54 25A 0.615385 0.932432
55 RAB 0.611111 0.810811
56 XYA 0.611111 0.810811
57 ADN 0.611111 0.810811
58 25L 0.610526 0.945946
59 A1R 0.608696 0.922078
60 4AD 0.608696 0.909091
61 DAL AMP 0.604396 0.87013
62 5SV 0.597826 0.839506
63 8QN 0.597826 0.894737
64 OOB 0.597826 0.894737
65 ADP BMA 0.595745 0.883117
66 OAD 0.595745 0.907895
67 PAJ 0.591398 0.851852
68 AMO 0.591398 0.921053
69 AOC 0.585366 0.789474
70 DLL 0.585106 0.894737
71 AHX 0.585106 0.886076
72 00A 0.585106 0.85
73 BIS 0.583333 0.897436
74 3OD 0.583333 0.907895
75 PTJ 0.583333 0.8625
76 3UK 0.578947 0.883117
77 DZD 0.577982 0.923077
78 5AS 0.576471 0.752809
79 5N5 0.573333 0.786667
80 PR8 0.572917 0.864198
81 WAQ 0.572917 0.897436
82 LAD 0.572917 0.875
83 4TC 0.571429 0.910256
84 ME8 0.56701 0.831325
85 TXA 0.56701 0.896104
86 1ZZ 0.56701 0.831325
87 FYA 0.56701 0.894737
88 NB8 0.56701 0.886076
89 5CD 0.565789 0.773333
90 A4D 0.565789 0.786667
91 ATP A A A 0.565657 0.893333
92 A3P 0.564706 0.931507
93 7D5 0.5625 0.868421
94 PAP 0.561798 0.945205
95 MYR AMP 0.561224 0.809524
96 G5P 0.558824 0.886076
97 M2T 0.556962 0.707317
98 A A 0.556701 0.906667
99 9SN 0.555556 0.839506
100 G2P 0.553191 0.923077
101 7D3 0.552941 0.894737
102 TXD 0.552381 0.873418
103 UP5 0.552381 0.884615
104 JB6 0.55102 0.873418
105 2A5 0.550562 0.907895
106 FA5 0.55 0.896104
107 YAP 0.55 0.884615
108 G3A 0.54902 0.886076
109 3AM 0.548781 0.891892
110 A2P 0.546512 0.917808
111 7D4 0.545455 0.894737
112 XAH 0.544554 0.853659
113 TYR AMP 0.544554 0.848101
114 ATR 0.544444 0.931507
115 EP4 0.544304 0.725
116 AFH 0.543689 0.875
117 4UV 0.539216 0.860759
118 G5A 0.538462 0.772727
119 GTA 0.538462 0.853659
120 NAI 0.537736 0.873418
121 DTA 0.5375 0.779221
122 3DH 0.536585 0.74359
123 AHZ 0.533333 0.788235
124 ARG AMP 0.533333 0.821429
125 LAQ 0.533333 0.831325
126 MTA 0.530864 0.74359
127 AR6 AR6 0.528846 0.881579
128 7MD 0.528846 0.853659
129 4UU 0.528846 0.860759
130 48N 0.528302 0.886076
131 LPA AMP 0.528302 0.809524
132 ITT 0.52809 0.905405
133 AMP DBH 0.524272 0.858974
134 NAX 0.523364 0.864198
135 DND 0.523364 0.896104
136 NXX 0.523364 0.896104
137 4UW 0.523364 0.829268
138 6V0 0.523364 0.8625
139 IMO 0.523256 0.891892
140 A4P 0.522936 0.813953
141 A5A 0.521277 0.77907
142 TSB 0.520833 0.790698
143 OMR 0.518519 0.843373
144 TXE 0.518519 0.873418
145 2AM 0.518072 0.905405
146 6RE 0.517647 0.753086
147 S4M 0.517241 0.681818
148 V3L 0.516129 0.932432
149 SSA 0.515789 0.793103
150 YLP 0.514019 0.833333
151 AP0 0.513761 0.8625
152 UPA 0.513761 0.873418
153 139 0.513514 0.864198
154 T5A 0.513514 0.855422
155 PPS 0.510638 0.841463
156 A2R 0.510417 0.945946
157 54H 0.510417 0.761364
158 VMS 0.510417 0.761364
159 52H 0.510417 0.752809
160 CNA 0.508929 0.896104
161 ZAS 0.505882 0.7375
162 A3N 0.505747 0.75641
163 J7C 0.505747 0.7625
164 5X8 0.505495 0.75641
165 53H 0.505155 0.752809
166 5CA 0.505155 0.793103
167 ALF ADP 3PG 0.504587 0.829268
168 LA8 ALF 3PG 0.504587 0.829268
169 AF3 ADP 3PG 0.504587 0.829268
170 TYM 0.504587 0.896104
171 IOT 0.504505 0.845238
172 YLC 0.5 0.853659
173 ADJ 0.5 0.843373
174 OVE 0.5 0.87013
175 YLB 0.5 0.833333
176 7MC 0.5 0.833333
177 P5A 0.49505 0.758242
178 NSS 0.494949 0.793103
179 LSS 0.494949 0.755556
180 DSZ 0.494949 0.793103
181 6AD 0.494737 0.875
182 MAO 0.494382 0.77381
183 DSH 0.494253 0.740741
184 A3D 0.491379 0.883117
185 NVA LMS 0.49 0.736264
186 AV2 0.489583 0.881579
187 COD 0.486957 0.825581
188 NAD 0.486957 0.894737
189 4TA 0.486957 0.821429
190 YLA 0.486726 0.833333
191 NA7 0.485149 0.972973
192 LEU LMS 0.485149 0.736264
193 3AT 0.484211 0.958904
194 GJV 0.483146 0.743902
195 AYB 0.482456 0.823529
196 5AD 0.480519 0.716216
197 GSU 0.480392 0.772727
198 KAA 0.480392 0.766667
199 NAD IBO 0.478261 0.8375
200 71V 0.477778 0.873418
201 A3G 0.477273 0.792208
202 7D7 0.474359 0.736842
203 BTX 0.474138 0.855422
204 G A A A 0.474138 0.839506
205 6C6 0.473684 0.896104
206 DAT 0.473118 0.92
207 SFG 0.473118 0.766234
208 YSA 0.471698 0.772727
209 PO4 PO4 A A A A PO4 0.470588 0.866667
210 BT5 0.470085 0.845238
211 AVV 0.47 0.910256
212 SMM 0.469388 0.701149
213 6IA 0.46875 0.829268
214 SAM 0.46875 0.705882
215 DTP 0.46875 0.92
216 A7D 0.467391 0.792208
217 AMP NAD 0.467213 0.848101
218 M24 0.466667 0.819277
219 SA8 0.463158 0.722892
220 A5D 0.463158 0.779221
221 NAE 0.46281 0.860759
222 PGS 0.462366 0.85
223 MHZ 0.462366 0.712644
224 NAJ PZO 0.462185 0.817073
225 DA 0.460674 0.893333
226 D5M 0.460674 0.893333
227 NEC 0.460674 0.717949
228 EAD 0.459677 0.841463
229 2SA 0.459184 0.921053
230 NAQ 0.459016 0.839506
231 NAJ PYZ 0.459016 0.819277
232 SAH 0.458333 0.759494
233 SAI 0.458333 0.75
234 Y3J 0.45679 0.697368
235 A A A 0.456311 0.92
236 AAM 0.455556 0.931507
237 6K6 0.455446 0.893333
238 ZID 0.455285 0.883117
239 4YB 0.454545 0.755556
240 S7M 0.454545 0.705882
241 YLY 0.454545 0.823529
242 PLP AAD 0.453782 0.736264
243 AMZ 0.453488 0.88
244 C2R 0.453488 0.868421
245 Z5A 0.451613 0.772727
246 7DD 0.451613 0.945205
247 A3S 0.451613 0.802632
248 7C5 0.449541 0.7875
249 101 0.449438 0.868421
250 EEM 0.44898 0.705882
251 N6P 0.446602 0.878378
252 ARU 0.446602 0.829268
253 AIR 0.445783 0.864865
254 U A G G 0.445378 0.85
255 P1H 0.445312 0.821429
256 NDE 0.445312 0.896104
257 N0B 0.443548 0.833333
258 A U 0.443478 0.8375
259 NIA 0.443182 0.792683
260 A3T 0.442105 0.789474
261 GEK 0.441176 0.753086
262 GP2 0.438776 0.923077
263 DDS 0.438776 0.868421
264 WSA 0.438596 0.781609
265 7DT 0.4375 0.945205
266 0WD 0.436975 0.886076
267 8BR 0.434783 0.871795
268 AAT 0.434343 0.722892
269 TXP 0.432203 0.886076
270 GGZ 0.431373 0.795181
271 NJP 0.428571 0.909091
272 A6D 0.428571 0.717647
273 FB0 0.427481 0.83908
274 NDC 0.427481 0.8625
275 649 0.426087 0.758242
276 7RA 0.423913 0.918919
277 NDP 0.423729 0.886076
278 0UM 0.423077 0.714286
279 ACK 0.422222 0.826667
280 QQY 0.422222 0.78481
281 RGT 0.422018 0.921053
282 FDA 0.421053 0.825581
283 CC5 0.419753 0.808219
284 ANZ 0.419643 0.771084
285 62X 0.419048 0.681818
286 APU 0.418803 0.860759
287 6FA 0.41791 0.833333
288 128 0.417391 0.75
289 ODP 0.416667 0.875
290 TM1 0.416667 0.747126
291 3AD 0.416667 0.797297
292 K15 0.415094 0.697674
293 2BA 0.414894 0.878378
294 CMP 0.414894 0.864865
295 V1N 0.414414 0.881579
296 S8M 0.413462 0.775
297 7RP 0.413043 0.890411
298 2VA 0.412371 0.769231
299 12D 0.412281 0.758621
300 SFD 0.411765 0.729167
301 NPW 0.411765 0.876543
302 FAS 0.411765 0.843373
303 2FA 0.411765 0.782051
304 FAD 0.411765 0.843373
305 QQX 0.411111 0.775
306 62F 0.410072 0.853659
307 FAI 0.408602 0.88
308 RMB 0.408602 0.837838
309 AS 0.408602 0.848101
310 NZQ 0.408333 0.898734
311 GCP 0.407767 0.910256
312 SXZ 0.407407 0.72619
313 SP1 0.406593 0.810127
314 RP1 0.406593 0.810127
315 U G A 0.404412 0.809524
316 D3Y 0.403846 0.782051
317 KB1 0.40367 0.714286
318 N01 0.403226 0.87013
319 SLU 0.403226 0.744444
320 5GP 0.402062 0.871795
321 G 0.402062 0.871795
322 NMN AMP PO4 0.401639 0.8375
323 XNP 0.401639 0.841463
324 SO8 0.4 0.759494
325 VRT 0.4 0.7625
326 DCA 0.4 0.837209
327 3L1 0.4 0.789474
328 3D1 0.4 0.789474
329 FNK 0.4 0.797753
330 ETB 0.4 0.825581
Ligand no: 2; Ligand: NMN; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 NMN 1 1
2 NNR 0.693548 0.818182
3 NCN 0.647887 0.892308
4 8ID 0.524752 0.807692
5 NGD 0.514563 0.831169
6 NAD 0.509434 0.875
7 NHD 0.509434 0.875
8 NAJ 0.504762 0.875
9 NAD IBO 0.5 0.815789
10 NDO 0.491071 0.888889
11 NAP 0.486726 0.888889
12 NFD 0.486239 0.828947
13 NBP 0.465517 0.831169
14 NAJ PYZ 0.464912 0.797468
15 DND 0.461538 0.851351
16 NXX 0.461538 0.851351
17 A3D 0.421053 0.863014
18 N01 0.417391 0.849315
19 NA0 0.404959 0.876712
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1NUS; Ligand: APC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1nus.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1NUS; Ligand: NMN; 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: 1nus.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1NUS; Ligand: NMN; Similar sites found: 155
This union binding pocket(no: 3) in the query (biounit: 1nus.bio1) has 46 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.01441 0.46851 None
2 4F4S EFO 0.004098 0.44884 None
3 1LNX URI 0.01432 0.42389 None
4 1WGC SIA GAL BGC 0.02977 0.44188 1.16959
5 1KYQ NAD 0.01184 0.40084 1.19048
6 2JFV FLC 0.01547 0.43221 1.37457
7 1F1V DHY 0.008461 0.42964 1.98413
8 3QV9 QV7 0.01872 0.42314 1.98413
9 4OB6 S2T 0.008478 0.41328 1.98413
10 1GEE NAD 0.00138 0.40078 1.98413
11 4JWX 1N4 0.0461 0.40035 1.98413
12 1PFY MSP 0.0008399 0.45543 2.38095
13 1XX4 BAM 0.0302 0.43465 2.38095
14 3NFZ 3NF 0.005192 0.42992 2.38095
15 2NZ5 226 0.02384 0.41682 2.38095
16 1MXI SAH 0.005466 0.41361 2.5
17 2FR6 URI 0.003852 0.41939 2.73973
18 2Y7P SAL 0.003087 0.45447 2.75229
19 1N9L FMN 0.005322 0.41405 2.75229
20 4NYT PC 0.01371 0.45055 2.76498
21 4M5P MLA 0.00631 0.48027 2.77778
22 1O9U ADZ 0.006404 0.4715 2.77778
23 4LHM AZZ 0.001918 0.46999 2.77778
24 4M5P 23W 0.01553 0.44378 2.77778
25 2WA4 069 0.00988 0.41815 2.77778
26 1Q11 TYE 0.03528 0.40577 2.77778
27 2O66 FLC 0.006949 0.44356 2.96296
28 3B6C SDN 0.02166 0.43212 2.99145
29 2ORV 4TA 0.002211 0.41137 2.99145
30 2JBH 5GP 0.003578 0.44628 3.11111
31 2ZWS PLM 0.002548 0.51316 3.1746
32 3P7I P7I 0.002065 0.46247 3.1746
33 1A5Z OXM 0.01346 0.44704 3.1746
34 1TV5 N8E 0.02289 0.42402 3.1746
35 3LTW HLZ 0.03096 0.41736 3.1746
36 1WDA BAG 0.02406 0.40934 3.1746
37 1Z44 FMN 0.01419 0.40781 3.1746
38 2Q09 DI6 0.03235 0.40355 3.1746
39 2C5S AMP 0.009906 0.42658 3.57143
40 2QCX PF1 0.01954 0.42225 3.57143
41 2PP3 LGT 0.01359 0.40859 3.57143
42 3D2Y AH0 ALA FGA LYS 0.009612 0.40429 3.57143
43 3I51 45C 0.02563 0.40063 3.57143
44 1Y9Q MED 0.02709 0.42023 3.64583
45 1RZM PEP 0.006042 0.44111 3.96825
46 2UYQ SAM 0.01622 0.44102 3.96825
47 1RZM E4P 0.02599 0.43187 3.96825
48 4PNI KQQ 0.00262 0.40888 3.96825
49 1R6T TYM 0.003715 0.40072 3.96825
50 4CCO OGA 0.003591 0.45147 4.36508
51 1PEA ACM 0.01304 0.44777 4.36508
52 1QO0 BMD 0.009699 0.44214 4.36508
53 1V6A TRE 0.01154 0.43312 4.36508
54 3SHR CMP 0.008284 0.42558 4.36508
55 3JQ3 ADP 0.02 0.40895 4.36508
56 2JGS BTN 0.003764 0.45329 4.61538
57 1ULE GLA GAL NAG 0.01797 0.44044 4.66667
58 4PTZ FMN 0.01345 0.40191 4.71204
59 1BTN I3P 0.008791 0.49172 4.71698
60 3U7Y FLC 0.006559 0.48955 4.7619
61 4DYO SD4 0.02152 0.41151 4.7619
62 1K6M AGS 0.006091 0.40224 4.7619
63 2X1L ADN 0.004603 0.45078 4.96183
64 2V5E SCR 0.02195 0.44946 5
65 1Y75 NAG 0.006798 0.43387 5.08475
66 1MZV AMP 0.008214 0.42574 5.10638
67 4M51 BEZ 0.01709 0.44158 5.15873
68 3EHU MAL 0.009412 0.44 5.15873
69 3TDC 0EU 0.01111 0.43747 5.15873
70 3DGB MUC 0.004753 0.43154 5.15873
71 4WVH ASP HIS ASP ALA HIS ALA 0.01435 0.41939 5.15873
72 1CKM GTP 0.004558 0.41316 5.15873
73 4IMG NGF 0.006956 0.40635 5.15873
74 3CF6 SP1 0.01572 0.40254 5.15873
75 1VE3 SAM 0.003695 0.42007 5.28634
76 2PR5 FMN 0.002769 0.42483 5.30303
77 3HL4 CDC 0.004343 0.43707 5.50847
78 2QLX RM4 0.003758 0.46887 5.55556
79 2F2U M77 0.001576 0.45674 5.55556
80 1SQ5 PAU 0.004937 0.44513 5.55556
81 4KCT FDP 0.004285 0.43343 5.55556
82 1KTC NGA 0.01175 0.42785 5.55556
83 1T10 F6P 0.03262 0.41163 5.55556
84 4KCT PYR 0.02796 0.4064 5.55556
85 4K30 NLG 0.01429 0.4153 5.625
86 1G8S MET 0.00536 0.45473 5.65217
87 4I67 G G G RPC 0.0467 0.40614 5.74713
88 1SS4 GSH 0.002346 0.5147 5.88235
89 1SS4 CIT 0.03534 0.46183 5.88235
90 1ZJ6 G3D 0.006958 0.42457 5.88235
91 3KMT SAH 0.01219 0.41053 5.88235
92 3ZPG 5GP 0.02071 0.44366 5.95238
93 3I8P 840 0.004399 0.42466 5.95238
94 2QV7 ADP 0.007357 0.41574 5.95238
95 3QSB 743 0.0408 0.40929 5.95238
96 3A1I UNU 0.02013 0.40883 5.95238
97 3F81 STT 0.02274 0.44144 6.01093
98 1ECM TSA 0.0008879 0.47317 6.42202
99 3MAG 3MA 0.005781 0.48243 6.74603
100 4B9E FAH 0.003564 0.47003 6.74603
101 1JZS MRC 0.008106 0.42769 6.74603
102 3DER ALA LYS 0.004446 0.41025 6.74603
103 2ZO9 MLI 0.02836 0.40052 6.74603
104 1QDS PGA 0.02182 0.4073 6.77291
105 3S9K CIT 0.01595 0.46833 6.77966
106 2Q37 3AL 0.01007 0.43594 7.14286
107 3F8C HT1 0.02286 0.41901 7.14286
108 3B1J NAD 0.0006163 0.41409 7.14286
109 2IYG FMN 0.014 0.41176 7.25806
110 1YRX FMN 0.00763 0.41889 7.43802
111 4E28 9MZ 0.008155 0.44583 7.53968
112 1E5F PLP 0.003928 0.42662 7.53968
113 4E28 0MZ 0.02254 0.41931 7.53968
114 2OFE NAG 0.004226 0.45977 7.74648
115 3RKR NAP 0.01752 0.42886 7.93651
116 1NYT NAP 0.003516 0.40168 7.93651
117 1ZZ7 S0H 0.0431 0.40172 8.08081
118 4COQ SAN 0.02656 0.42065 8.09717
119 2NCD ADP 0.002799 0.46223 8.33333
120 2GKS ADP 0.005713 0.42831 8.33333
121 2RHQ GAX 0.006675 0.40083 8.33333
122 2Q8H TF4 0.002519 0.49354 8.73016
123 4NAT 2W5 0.00004835 0.43038 8.75
124 4NAT ADP 0.0009289 0.42913 8.75
125 1TUV VK3 0.03941 0.42827 8.77193
126 2XDQ MGX 0.0019 0.50019 9.12698
127 1W3R PYR 0.004999 0.46961 9.12698
128 2EB5 OXL 0.005449 0.45439 9.12698
129 3TFC PEP 0.004554 0.44674 9.12698
130 2IZ1 ATR 0.01118 0.43913 9.52381
131 2Z48 A2G 0.03432 0.42651 9.52381
132 2Z49 AMG 0.04641 0.42291 9.52381
133 3KJQ B94 0.003454 0.43737 9.7561
134 1Y42 TYR 0.02786 0.41053 9.92064
135 3C8Z 5CA 0.001516 0.45831 10.3175
136 3DG6 MUC 0.01054 0.41312 10.3175
137 3QDT A2G GAL 0.02861 0.42977 10.4895
138 2Z9V PXM 0.008634 0.43399 11.5079
139 3UEC ALA ARG TPO LYS 0.02332 0.4287 11.6438
140 2QTR NXX 0.0000002227 0.56297 12.1693
141 1V7R CIT 0.008653 0.47249 12.3656
142 1T0S BML 0.007015 0.4619 12.7907
143 1YOA FMN 0.02583 0.45337 13.8365
144 1YOA FAD 0.002518 0.41581 13.8365
145 3K9W 4PS 0.00003513 0.50238 14.4385
146 4RJK PYR 0.01864 0.46184 16.2698
147 4K7O EKZ 0.03917 0.42152 17.2619
148 1QJC PNS 0.00001048 0.50039 17.7215
149 3UC5 ATP 0.000000812 0.63163 17.8344
150 3BY8 MLT 0.02269 0.42931 20.4225
151 1O6B ADP 0.00002114 0.59016 22.4852
152 1N1D C2G 0.0000385 0.51324 23.2558
153 3P3N AKG 0.02192 0.42476 30
154 1K4M NAD 0.0000003925 0.45355 46.0094
155 2H29 DND 0.0000009221 0.54846 46.5608
Pocket No.: 4; Query (leader) PDB : 1NUS; Ligand: APC; Similar sites found: 148
This union binding pocket(no: 4) in the query (biounit: 1nus.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.01254 0.46851 None
2 1LNX URI 0.01195 0.42389 None
3 4F4S EFO 0.01988 0.41384 None
4 1WGC SIA GAL BGC 0.02595 0.44188 1.16959
5 1F1V DHY 0.007659 0.42785 1.98413
6 3QV9 QV7 0.01577 0.42314 1.98413
7 4OB6 S2T 0.006836 0.41328 1.98413
8 1VHW ADN 0.04772 0.40235 1.98413
9 4JWX 1N4 0.03913 0.40035 1.98413
10 1PFY MSP 0.001954 0.43556 2.38095
11 1XX4 BAM 0.02618 0.43465 2.38095
12 2NZ5 226 0.02125 0.41682 2.38095
13 3NFZ 3NF 0.01881 0.40283 2.38095
14 1MXI SAH 0.004607 0.41261 2.5
15 2FR6 URI 0.002731 0.4211 2.73973
16 2Y7P SAL 0.002529 0.45447 2.75229
17 1N9L FMN 0.004214 0.41405 2.75229
18 4NYT PC 0.01216 0.45055 2.76498
19 4M5P MLA 0.00541 0.48027 2.77778
20 1O9U ADZ 0.01079 0.45551 2.77778
21 4M5P 23W 0.01327 0.44378 2.77778
22 4LHM AZZ 0.008689 0.43529 2.77778
23 1B63 ANP 0.004498 0.40306 2.77778
24 3B6C SDN 0.01874 0.43212 2.99145
25 2JBH 5GP 0.002918 0.44628 3.11111
26 2ZWS PLM 0.00218 0.51316 3.1746
27 3P7I P7I 0.001683 0.46247 3.1746
28 1TV5 N8E 0.02004 0.42402 3.1746
29 3LTW HLZ 0.02639 0.41736 3.1746
30 2Q09 DI6 0.01567 0.41414 3.1746
31 1Z44 FMN 0.0084 0.41348 3.1746
32 1WDA BAG 0.02012 0.40934 3.1746
33 2QCX PF1 0.002746 0.45867 3.57143
34 2C5S AMP 0.008185 0.42658 3.57143
35 2PP3 LGT 0.008216 0.41387 3.57143
36 2J5V RGP 0.04985 0.41049 3.57143
37 3D2Y AH0 ALA FGA LYS 0.007678 0.40429 3.57143
38 1Y9Q MED 0.02306 0.42023 3.64583
39 1RZM PEP 0.004989 0.44111 3.96825
40 2UYQ SAM 0.0141 0.44102 3.96825
41 1RZM E4P 0.02279 0.43187 3.96825
42 3HB5 E2B 0.0008417 0.42131 3.96825
43 2YGO PCF 0.0007503 0.41017 4.25532
44 4CCO OGA 0.002946 0.45147 4.36508
45 1PEA ACM 0.01113 0.44777 4.36508
46 1V6A TRE 0.009665 0.43312 4.36508
47 1QO0 BMD 0.01349 0.43154 4.36508
48 3SHR CMP 0.01223 0.41464 4.36508
49 2AF6 BRU 0.04645 0.41196 4.36508
50 3JQ3 ADP 0.0167 0.40883 4.36508
51 1C1L GAL BGC 0.02061 0.42796 4.37956
52 2JGS BTN 0.0031 0.45329 4.61538
53 1ULE GLA GAL NAG 0.01247 0.44519 4.66667
54 1BTN I3P 0.007665 0.49172 4.71698
55 3U7Y FLC 0.005703 0.48955 4.7619
56 2EJU SAH 0.006252 0.40764 4.7619
57 4DYO SD4 0.0264 0.4041 4.7619
58 1K6M AGS 0.00475 0.40224 4.7619
59 2X1L ADN 0.004508 0.4474 4.96183
60 2V5E SCR 0.01906 0.44946 5
61 1Y75 NAG 0.005589 0.43387 5.08475
62 1MZV AMP 0.006732 0.42574 5.10638
63 4M51 BEZ 0.01463 0.44158 5.15873
64 3EHU MAL 0.007883 0.44 5.15873
65 3TDC 0EU 0.009887 0.43747 5.15873
66 3DGB MUC 0.003845 0.43154 5.15873
67 4WVH ASP HIS ASP ALA HIS ALA 0.009157 0.42444 5.15873
68 1CKM GTP 0.00358 0.41316 5.15873
69 4IMG NGF 0.005499 0.40635 5.15873
70 1VE3 SAM 0.00291 0.42007 5.28634
71 2PR5 FMN 0.002816 0.42061 5.30303
72 3HL4 CDC 0.004614 0.43202 5.50847
73 2F2U M77 0.001264 0.45674 5.55556
74 4KCT FDP 0.003462 0.43343 5.55556
75 4KCT PYR 0.006627 0.43062 5.55556
76 1SQ5 PAU 0.009809 0.4278 5.55556
77 1KTC NGA 0.01771 0.41612 5.55556
78 2QLX RM4 0.03645 0.41543 5.55556
79 1T10 F6P 0.02769 0.41163 5.55556
80 1G8S MET 0.004473 0.45473 5.65217
81 1SS4 GSH 0.002021 0.5147 5.88235
82 1SS4 CIT 0.00775 0.43025 5.88235
83 1ZJ6 G3D 0.005658 0.42457 5.88235
84 3KMT SAH 0.009937 0.41053 5.88235
85 3ZPG 5GP 0.001461 0.50229 5.95238
86 3I8P 840 0.005828 0.41601 5.95238
87 3QSB 743 0.03533 0.40929 5.95238
88 3A1I UNU 0.0167 0.40883 5.95238
89 3F81 STT 0.01964 0.44144 6.01093
90 1UF5 CDT 0.01124 0.4162 6.34921
91 1ECM TSA 0.0007118 0.47317 6.42202
92 4B9E FAH 0.002979 0.47003 6.74603
93 3MAG 3MA 0.02922 0.43895 6.74603
94 1JZS MRC 0.006813 0.42753 6.74603
95 1HDG NAD 0.001743 0.4077 6.74603
96 3DER ALA LYS 0.004396 0.40341 6.74603
97 2ZO9 MLI 0.02359 0.40052 6.74603
98 1QDS PGA 0.004714 0.43235 6.77291
99 3S9K CIT 0.01409 0.46833 6.77966
100 2Q37 3AL 0.008416 0.43594 7.14286
101 3F8C HT1 0.02049 0.4178 7.14286
102 3B1J NAD 0.0003695 0.41642 7.14286
103 2IYG FMN 0.01429 0.40782 7.25806
104 1YRX FMN 0.006177 0.41889 7.43802
105 4E28 9MZ 0.006838 0.44583 7.53968
106 4E28 0MZ 0.01903 0.41931 7.53968
107 1E5F PLP 0.005223 0.41788 7.53968
108 2OFE NAG 0.003517 0.45977 7.74648
109 2OFD NGA 0.04971 0.40775 7.74648
110 3RKR NAP 0.01501 0.42886 7.93651
111 2E1A MSE 0.002204 0.45163 8
112 4COQ SAN 0.0226 0.42065 8.09717
113 2NCD ADP 0.002304 0.46223 8.33333
114 2GKS ADP 0.008149 0.41757 8.33333
115 3RF4 FUN 0.02726 0.40756 8.62069
116 2Q8H TF4 0.002125 0.49354 8.73016
117 4NAT 2W5 0.0001373 0.4296 8.75
118 4NAT ADP 0.001662 0.42784 8.75
119 1TUV VK3 0.0041 0.47818 8.77193
120 2XDQ MGX 0.001598 0.50019 9.12698
121 1W3R PYR 0.00422 0.46961 9.12698
122 3TFC PEP 0.001823 0.46091 9.12698
123 2EB5 OXL 0.004548 0.45439 9.12698
124 2Z48 A2G 0.03031 0.42651 9.52381
125 2IZ1 ATR 0.01913 0.42418 9.52381
126 2Z49 AMG 0.04111 0.42291 9.52381
127 2IVD ACJ 0.04784 0.40229 9.52381
128 3KJQ B94 0.002782 0.43737 9.7561
129 1Y42 TYR 0.0004538 0.48821 9.92064
130 3C8Z 5CA 0.005511 0.42847 10.3175
131 3DG6 MUC 0.008574 0.41312 10.3175
132 3QDT A2G GAL 0.02463 0.42977 10.4895
133 2Z9V PXM 0.007162 0.43399 11.5079
134 3UEC ALA ARG TPO LYS 0.04192 0.41235 11.6438
135 2QTR NXX 0.000002178 0.5203 12.1693
136 1XE7 GUN 0.01171 0.4536 12.3153
137 1T0S BML 0.005944 0.4619 12.7907
138 3K9W 4PS 0.00007125 0.48497 14.4385
139 1SJD NPG 0.003441 0.40098 14.6825
140 4RJK PYR 0.008057 0.47982 16.2698
141 1QJC PNS 0.00001786 0.48659 17.7215
142 3UC5 ATP 0.000000616 0.63163 17.8344
143 3BY8 MLT 0.02223 0.4263 20.4225
144 1O6B ADP 0.00001697 0.59016 22.4852
145 1N1D C2G 0.0000476 0.50436 23.2558
146 2Y69 CHD 0.02678 0.42243 34.0206
147 1K4M NAD 0.000005152 0.43823 46.0094
148 2H29 DND 0.00001187 0.50046 46.5608
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