Receptor
PDB id Resolution Class Description Source Keywords
3SZG 2.25 Å EC: 6.3.5.1 CRYSTAL STRUCTURE OF C176A GLUTAMINE-DEPENDENT NAD+ SYNTHETA TUBERCULOSIS BOUND TO AMP/PPI AND NAAD+ MYCOBACTERIUM TUBERCULOSIS GLUTAMINE-AMIDOTRANSFERASE GLUTAMINASE GLUTAMINE-DEPENDENTSYNTHETASE LIGASE AMMONIA TUNNELING ATP BINDING NAD NUBINDING
Ref.: REGULATION OF THE INTERSUBUNIT AMMONIA TUNNEL IN MYCOBACTERIUM TUBERCULOSIS GLUTAMINE-DEPENDENT NAD+ SYNTHETASE. BIOCHEM.J. V. 443 417 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMP A:681;
B:681;
C:681;
D:681;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
347.221 C10 H14 N5 O7 P c1nc(...
GOL B:683;
C:683;
D:683;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NXX A:680;
B:680;
C:680;
D:680;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
665.418 C21 H27 N6 O15 P2 c1cc(...
POP A:682;
B:682;
C:682;
D:682;
Invalid;
Invalid;
Invalid;
Invalid;
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
3DLA 2.35 Å EC: 6.3.5.1 X-RAY CRYSTAL STRUCTURE OF GLUTAMINE-DEPENDENT NAD+ SYNTHETA MYCOBACTERIUM TUBERCULOSIS BOUND TO NAAD+ AND DON MYCOBACTERIUM TUBERCULOSIS GLUTAMINASE NAD+ SYNTHETASE AMMONIA TUNNELING ENZYME GLUDEPENDENT NAD+ SYNTHETASE GLUTAMINE-AMIDO TRANSFERASE ATPLIGASE NAD NUCLEOTIDE-BINDING
Ref.: REGULATION OF ACTIVE SITE COUPLING IN GLUTAMINE-DEP NAD(+) SYNTHETASE. NAT.STRUCT.MOL.BIOL. V. 16 421 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3DLA - NXX C21 H27 N6 O15 P2 c1cc(c[n+]....
2 3SZG - NXX C21 H27 N6 O15 P2 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 2 families.
1 3DLA - NXX C21 H27 N6 O15 P2 c1cc(c[n+]....
2 3SZG - NXX C21 H27 N6 O15 P2 c1cc(c[n+]....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3DLA - NXX C21 H27 N6 O15 P2 c1cc(c[n+]....
2 3SZG - NXX C21 H27 N6 O15 P2 c1cc(c[n+]....
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: NXX; Similar ligands found: 260
No: Ligand ECFP6 Tc MDL keys Tc
1 NXX 1 1
2 DND 1 1
3 NAD 0.765766 0.972603
4 A3D 0.752212 0.959459
5 NAD IBO 0.695652 0.909091
6 NAJ PYZ 0.663934 0.8875
7 A2D 0.659574 0.958904
8 AMP NAD 0.645161 0.946667
9 CNA 0.644068 0.972973
10 BA3 0.628866 0.958904
11 AP5 0.622449 0.958904
12 B4P 0.622449 0.958904
13 NHD 0.619835 0.945946
14 NAP 0.619048 0.959459
15 ZID 0.619048 0.959459
16 AR6 0.613861 0.958904
17 APR 0.613861 0.958904
18 NAQ 0.611111 0.910256
19 NA0 0.609375 0.946667
20 ADP 0.606061 0.932432
21 ATP 0.60396 0.932432
22 NAE 0.603175 0.934211
23 TAP 0.601562 0.897436
24 AN2 0.6 0.92
25 AQP 0.598039 0.932432
26 5FA 0.598039 0.932432
27 NFD 0.596774 0.922078
28 8ID 0.596639 0.923077
29 CA0 0.594059 0.959459
30 M33 0.594059 0.92
31 OOB 0.592593 0.972603
32 AD9 0.592233 0.907895
33 SAP 0.592233 0.884615
34 AGS 0.592233 0.884615
35 N01 0.592 0.945946
36 OAD 0.590909 0.959459
37 ACP 0.588235 0.907895
38 A1R 0.587156 0.873418
39 3OD 0.580357 0.959459
40 NDE 0.578947 0.946667
41 WAQ 0.571429 0.897436
42 NDC 0.57037 0.910256
43 A22 0.568807 0.945946
44 00A 0.567568 0.922078
45 DLL 0.567568 0.972603
46 ACQ 0.566038 0.907895
47 ANP 0.566038 0.907895
48 ADX 0.563107 0.841463
49 A 0.561224 0.905405
50 AMP 0.561224 0.905405
51 NGD 0.560976 0.923077
52 5AL 0.560748 0.945946
53 NJP 0.56 0.96
54 ABM 0.56 0.881579
55 50T 0.557692 0.894737
56 ATF 0.555556 0.896104
57 PRX 0.552381 0.858974
58 NAJ 0.552 0.945946
59 SRP 0.550459 0.921053
60 3UK 0.548673 0.959459
61 ADQ 0.544643 0.959459
62 AMO 0.544643 0.946667
63 4AD 0.544643 0.96
64 9SN 0.543103 0.910256
65 NAX 0.540984 0.8875
66 FYA 0.53913 0.894737
67 1ZZ 0.53913 0.853659
68 FA5 0.538462 0.946667
69 SON 0.538462 0.921053
70 GAP 0.537037 0.933333
71 TXE 0.536585 0.922078
72 8QN 0.535714 0.945946
73 AMP MG 0.534653 0.881579
74 AP2 0.533981 0.896104
75 A12 0.533981 0.896104
76 48N 0.532787 0.910256
77 PAJ 0.530973 0.898734
78 PR8 0.530435 0.864198
79 NCN 0.53 0.808219
80 NAI 0.528455 0.922078
81 TXD 0.528455 0.922078
82 6V0 0.528455 0.910256
83 AHX 0.526316 0.886076
84 TXA 0.525862 0.946667
85 BIS 0.525862 0.873418
86 YAP 0.525424 0.934211
87 G3A 0.525 0.910256
88 SRA 0.524752 0.858974
89 OMR 0.524194 0.865854
90 APC 0.523364 0.896104
91 TAT 0.522936 0.896104
92 25L 0.521368 0.945946
93 G5P 0.520661 0.910256
94 ADP MG 0.518868 0.894737
95 AU1 0.518868 0.907895
96 LAD 0.517241 0.875
97 BEF ADP 0.514019 0.871795
98 ADP BEF 0.514019 0.871795
99 NB8 0.512821 0.910256
100 ME8 0.512821 0.853659
101 PTJ 0.512821 0.886076
102 LAQ 0.512195 0.853659
103 25A 0.508772 0.932432
104 5SV 0.508772 0.817073
105 139 0.507812 0.8875
106 ADP PO3 0.504587 0.931507
107 ADV 0.504587 0.921053
108 RBY 0.504587 0.921053
109 GTA 0.504065 0.9
110 NDO 0.503704 0.933333
111 EAD 0.50365 0.8875
112 NAD BBN 0.5 0.878049
113 IOT 0.5 0.823529
114 TYM 0.5 0.946667
115 ADP ALF 0.5 0.860759
116 ALF ADP 0.5 0.860759
117 ATP MG 0.5 0.894737
118 T5A 0.496124 0.855422
119 AP0 0.496063 0.886076
120 4UU 0.495935 0.934211
121 AFH 0.495935 0.898734
122 XAH 0.495868 0.831325
123 ANP MG 0.495575 0.884615
124 NAD CJ3 0.493243 0.847059
125 A4P 0.492188 0.835294
126 UP5 0.492063 0.934211
127 4UV 0.491803 0.934211
128 DAL AMP 0.486957 0.945946
129 MAP 0.486957 0.884615
130 COD 0.484848 0.804598
131 ADJ 0.484615 0.865854
132 VO4 ADP 0.482456 0.92
133 ADP VO4 0.482456 0.92
134 DZD 0.481203 0.898734
135 BT5 0.481203 0.823529
136 4UW 0.480315 0.898734
137 M24 0.477941 0.8875
138 AOC 0.47619 0.789474
139 4TC 0.472868 0.910256
140 YLP 0.472441 0.833333
141 7MD 0.472 0.876543
142 TYR AMP 0.471545 0.946667
143 NBP 0.471429 0.898734
144 MYR AMP 0.471074 0.853659
145 P1H 0.468531 0.865854
146 AMP DBH 0.467742 0.933333
147 A A 0.466667 0.932432
148 ODP 0.466165 0.923077
149 DSZ 0.466102 0.813953
150 A2R 0.465517 0.945946
151 NAD NDT 0.464968 0.739583
152 PAP 0.464286 0.918919
153 ATP A A A 0.463415 0.945205
154 NAJ PZO 0.463235 0.886076
155 YLA 0.462121 0.833333
156 YLC 0.461538 0.853659
157 NMN 0.461538 0.851351
158 YLB 0.461538 0.833333
159 G5A 0.460177 0.772727
160 5AS 0.458716 0.752809
161 NA7 0.458333 0.896104
162 ADP BMA 0.458333 0.959459
163 AVV 0.457627 0.8625
164 2A5 0.455357 0.858974
165 P5A 0.454545 0.73913
166 VMS 0.452991 0.781609
167 54H 0.452991 0.781609
168 ATR 0.451327 0.905405
169 7D4 0.45045 0.846154
170 ITT 0.45045 0.88
171 UPA 0.450382 0.922078
172 LPA AMP 0.449612 0.853659
173 TSB 0.449153 0.811765
174 A5A 0.448276 0.8
175 AYB 0.447761 0.823529
176 NAD TDB 0.447205 0.68932
177 TAD 0.445312 0.875
178 SSA 0.444444 0.793103
179 6FA 0.442953 0.855422
180 LA8 ALF 3PG 0.442748 0.875
181 ALF ADP 3PG 0.442748 0.875
182 GSU 0.442623 0.793103
183 FB0 0.442177 0.777778
184 ARG AMP 0.44186 0.843373
185 AHZ 0.44186 0.853659
186 NSS 0.441667 0.813953
187 0WD 0.441176 0.910256
188 BTX 0.441176 0.811765
189 52H 0.440678 0.772727
190 7D3 0.440367 0.846154
191 5CD 0.44 0.773333
192 6AD 0.439655 0.851852
193 7MC 0.439394 0.855422
194 JB6 0.439024 0.873418
195 RAB 0.438776 0.810811
196 XYA 0.438776 0.810811
197 ADN 0.438776 0.810811
198 53H 0.436975 0.772727
199 5CA 0.436975 0.793103
200 N0B 0.43662 0.855422
201 YSA 0.436508 0.793103
202 A3P 0.436364 0.905405
203 FDA 0.436242 0.825581
204 YLY 0.435714 0.823529
205 4YB 0.434109 0.795455
206 AF3 ADP 3PG 0.431818 0.875
207 3AT 0.431034 0.906667
208 5N5 0.43 0.786667
209 LSS 0.429752 0.755556
210 NPW 0.42963 0.876543
211 FAD 0.427632 0.865854
212 SFD 0.427632 0.747368
213 FAS 0.427632 0.865854
214 PPS 0.42735 0.819277
215 EP4 0.427184 0.725
216 AR6 AR6 0.426357 0.958904
217 NVA LMS 0.42623 0.775281
218 FNK 0.425806 0.797753
219 A4D 0.425743 0.786667
220 DTA 0.423077 0.779221
221 LEU LMS 0.422764 0.775281
222 P5F 0.42236 0.858824
223 649 0.421053 0.758242
224 WSA 0.421053 0.802326
225 5X8 0.421053 0.779221
226 3AM 0.420561 0.866667
227 4TA 0.42029 0.843373
228 G A A A 0.42029 0.886076
229 KAA 0.419355 0.747253
230 NDP 0.419118 0.910256
231 MTA 0.419048 0.74359
232 U A G G 0.417266 0.897436
233 F2N 0.417178 0.806818
234 NZQ 0.416058 0.898734
235 TXP 0.416058 0.910256
236 7D5 0.415094 0.820513
237 ARU 0.414634 0.807229
238 6RE 0.412844 0.731707
239 AV2 0.411765 0.857143
240 A A A 0.41129 0.894737
241 3DH 0.411215 0.74359
242 A2P 0.410714 0.891892
243 M2T 0.409524 0.728395
244 SFG 0.408696 0.766234
245 62F 0.407643 0.853659
246 DTP 0.40678 0.846154
247 FA9 0.406061 0.855422
248 PUA 0.405594 0.875
249 J7C 0.405405 0.719512
250 A3N 0.405405 0.75641
251 FAY 0.405063 0.876543
252 DG1 0.40411 0.910256
253 1DG 0.40411 0.910256
254 ZAS 0.40367 0.759494
255 RFL 0.402516 0.835294
256 SA8 0.401709 0.722892
257 A5D 0.401709 0.779221
258 CMX 0.401361 0.816092
259 SCO 0.401361 0.816092
260 XNP 0.4 0.864198
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3DLA; Ligand: NXX; Similar sites found: 74
This union binding pocket(no: 1) in the query (biounit: 3dla.bio1) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.02199 0.45223 None
2 1PEA ACM 0.002401 0.48015 1.55844
3 1K6M AGS 0.004445 0.40118 1.62037
4 1SQ5 PAU 0.03031 0.40363 1.62338
5 2NCD ADP 0.01582 0.42118 1.66667
6 1O9U ADZ 0.00716 0.46313 2
7 3ZPG 5GP 0.01453 0.44662 2.09424
8 4E28 9MZ 0.01517 0.42716 2.15385
9 4E28 0MZ 0.03503 0.40498 2.15385
10 1Y42 TYR 0.03574 0.40036 2.29592
11 1RZM E4P 0.02493 0.42194 2.36686
12 1RZM PEP 0.0315 0.40287 2.36686
13 1I0Z OXM 0.0284 0.43089 2.4024
14 3P3N AKG 0.01437 0.4283 2.5788
15 2WA4 069 0.01155 0.40973 2.5788
16 3ESS 18N 0.04362 0.40914 2.6087
17 2F2U M77 0.00206 0.44554 2.98507
18 2QCX PF1 0.01846 0.41805 3.04183
19 1XX4 BAM 0.0158 0.4188 3.06513
20 3LTW HLZ 0.04564 0.40393 3.21429
21 1B0U ATP 0.0101 0.40463 3.43511
22 1XE7 GUN 0.02171 0.43721 3.44828
23 4DYO SD4 0.02693 0.40188 3.50515
24 1V7R CIT 0.008459 0.46738 3.76344
25 4M5P MLA 0.01581 0.45215 3.9312
26 4M5P 23W 0.03003 0.42344 3.9312
27 3SHR CMP 0.01287 0.41176 4.01338
28 1Y9Q MED 0.03701 0.40838 4.16667
29 2Q8H TF4 0.01762 0.4421 4.1769
30 3QV9 QV7 0.01872 0.41777 4.20842
31 4KCT FDP 0.01594 0.40394 4.20842
32 3BY8 MLT 0.006932 0.44969 4.22535
33 1G8S MET 0.02704 0.41502 4.34783
34 1C1L GAL BGC 0.003337 0.46546 4.37956
35 4RJK PYR 0.004531 0.49246 4.55342
36 1SS4 GSH 0.0007602 0.5436 4.57516
37 1N9L FMN 0.003962 0.41298 4.58716
38 4JWX 1N4 0.02429 0.40801 4.64286
39 1F1V DHY 0.006324 0.4295 4.64396
40 1BTN I3P 0.0004898 0.55654 4.71698
41 2EB5 OXL 0.04952 0.40219 4.86891
42 3S9K CIT 0.0007209 0.55496 5.08475
43 3MAG 3MA 0.0007735 0.52537 5.53746
44 1QDS PGA 0.01304 0.41151 5.57769
45 3QDT A2G GAL 0.009227 0.45002 5.59441
46 1YOA FMN 0.03523 0.44013 5.66038
47 1YOA FAD 0.0006208 0.43069 5.66038
48 2Q37 3AL 0.0336 0.40584 6.07735
49 1ZJ6 G3D 0.005203 0.42404 6.41711
50 4COQ SAN 0.04381 0.4048 6.47773
51 2QLX RM4 0.001855 0.47812 6.48148
52 3OCZ SRA 0.009428 0.40231 6.48855
53 3F81 STT 0.007347 0.46253 6.55738
54 1EJE FMN 0.0004323 0.44867 6.77083
55 1ULE GLA GAL NAG 0.01204 0.44404 7.33333
56 1MXI SAH 0.005949 0.40642 7.5
57 2V5E SCR 0.03536 0.43243 7.92079
58 3KJQ B94 0.007881 0.4166 8.42105
59 3P7I P7I 0.0004818 0.48469 8.72274
60 4F4S EFO 0.0183 0.41359 9.21053
61 4M6T SAM 0.02275 0.41823 9.83607
62 2XDQ MGX 0.003895 0.4773 10.7632
63 3UEC ALA ARG TPO LYS 0.01623 0.43128 10.9589
64 4K30 NLG 0.005602 0.4368 11.25
65 1T0S BML 0.005554 0.46139 11.6279
66 3KMT SAH 0.004233 0.42346 11.7647
67 1MZV AMP 0.005307 0.42811 13.617
68 1QO0 BMD 0.007533 0.4418 13.7755
69 2C5S AMP 0.001568 0.48324 14.0436
70 2E1A MSE 0.02733 0.4016 16
71 3FIU AMP 0.000000264 0.67312 23.6948
72 1XNG ATP 0.000003182 0.58039 27.9851
73 1XNG DND 0.00004201 0.49561 27.9851
74 1WXI AMP 0.0000006319 0.52245 29.0909
Pocket No.: 2; Query (leader) PDB : 3DLA; Ligand: NXX; 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: 3dla.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3DLA; Ligand: NXX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3dla.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3DLA; Ligand: NXX; 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: 3dla.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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