Receptor
PDB id Resolution Class Description Source Keywords
4H2W 1.95 Å EC: 6.2.1.- CRYSTAL STRUCTURE OF ENGINEERED BRADYRHIZOBIUM JAPONICUM GLYCINE:[CARRIER PROTEIN] LIGASE COMPLEXED WITH CARRIER PROA GROBACTERIUM TUMEFACIENS AND AMP BRADYRHIZOBIUM JAPONICUM, AGROBACTERIU(STRAIN C58 / ATCC 33970) LIGASE ATP BINDING GLYCINE BINDING CARRIER PROTEIN AMINOSYNTHETASE SERYL-TRNA SYNTHETASE
Ref.: ADAPTATION OF AMINOACYL-TRNA SYNTHETASE CATALYTIC C CARRIER PROTEIN AMINOACYLATION. STRUCTURE V. 21 614 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:402;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
ZN B:401;
A:401;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
AMP B:402;
 Valid;
 none;
 submit data
347.221 C10 H14 N5 O7 P c1nc(...
PNS C:101;
D:101;
 Invalid;
Invalid;
 none;
none;
 submit data
358.348 C11 H23 N2 O7 P S CC(C)...
5GP A:403;
 Valid;
 none;
 submit data
363.221 C10 H14 N5 O8 P c1nc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4H2W 1.95 Å EC: 6.2.1.- CRYSTAL STRUCTURE OF ENGINEERED BRADYRHIZOBIUM JAPONICUM GLYCINE:[CARRIER PROTEIN] LIGASE COMPLEXED WITH CARRIER PROA GROBACTERIUM TUMEFACIENS AND AMP BRADYRHIZOBIUM JAPONICUM, AGROBACTERIU(STRAIN C58 / ATCC 33970) LIGASE ATP BINDING GLYCINE BINDING CARRIER PROTEIN AMINOSYNTHETASE SERYL-TRNA SYNTHETASE
Ref.: ADAPTATION OF AMINOACYL-TRNA SYNTHETASE CATALYTIC C CARRIER PROTEIN AMINOACYLATION. STRUCTURE V. 21 614 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 4H2W - AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 4H2Y - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4H2W - AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 4H2Y - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4H2T - G5A C12 H17 N7 O7 S c1nc(c2c(n....
2 4H2U - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 4H2V - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 4H2S - AMP C10 H14 N5 O7 P c1nc(c2c(n....
5 4H2W - AMP C10 H14 N5 O7 P c1nc(c2c(n....
6 4H2Y - ATP C10 H16 N5 O13 P3 c1nc(c2c(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: 5GP; Similar ligands found: 156
No: Ligand ECFP6 Tc MDL keys Tc
1 5GP 1 1
2 G 1 1
3 GDP 0.828947 0.986486
4 GP3 0.815789 0.960526
5 GP2 0.805195 0.948052
6 GTP 0.797468 0.986486
7 GNH 0.794872 0.973333
8 G2P 0.777778 0.948052
9 GMV 0.775 0.960526
10 GCP 0.765432 0.960526
11 G1R 0.765432 0.973333
12 GDP MG 0.7625 0.935065
13 GAV 0.759036 0.948052
14 GSP 0.756098 0.935897
15 GNP 0.756098 0.960526
16 GDP BEF 0.753086 0.911392
17 ALF 5GP 0.753086 0.9
18 GMP 0.732394 0.866667
19 GTP MG 0.72619 0.935065
20 BEF GDP 0.72619 0.9
21 GPG 0.724138 0.948052
22 GCP G 0.717647 0.947368
23 G2R 0.712644 0.948052
24 GDP AF3 0.701149 0.9
25 GDP ALF 0.701149 0.9
26 Y9Z 0.692308 0.890244
27 GDC 0.692308 0.948052
28 GKE 0.692308 0.948052
29 GDD 0.692308 0.948052
30 YGP 0.681319 0.9125
31 G G 0.677778 0.947368
32 G3A 0.677419 0.960526
33 G5P 0.670213 0.960526
34 GFB 0.666667 0.948052
35 GDR 0.666667 0.948052
36 GTG 0.666667 0.924051
37 6CK 0.659574 0.924051
38 3GP 0.65 0.959459
39 GKD 0.645833 0.948052
40 JB2 0.645833 0.948052
41 GPD 0.639175 0.9125
42 GDX 0.639175 0.960526
43 GDP 7MG 0.635417 0.923077
44 G3D 0.617977 0.972973
45 U2G 0.617647 0.924051
46 IMP 0.609756 0.972603
47 2GP 0.609756 0.946667
48 JB3 0.607843 0.935897
49 CG2 0.605769 0.924051
50 G4P 0.604396 0.972973
51 DGP 0.60241 0.922078
52 DG 0.60241 0.922078
53 FEG 0.601942 0.890244
54 NGD 0.601942 0.948052
55 ZGP 0.596154 0.879518
56 0O2 0.595745 0.972973
57 2MD 0.584906 0.879518
58 G7M 0.583333 0.960526
59 CAG 0.583333 0.869048
60 G A A A 0.579439 0.935065
61 U A G G 0.574074 0.947368
62 MGD 0.568807 0.879518
63 DBG 0.566372 0.935897
64 PGD 0.5625 0.9125
65 MD1 0.5625 0.879518
66 P2G 0.55814 0.894737
67 FE9 0.553571 0.784946
68 I2C FE2 CMO CMO 0.54955 0.818182
69 P1G 0.545455 0.883117
70 GH3 0.542553 0.96
71 TPG 0.53913 0.829545
72 GPX 0.53125 0.933333
73 DGI 0.527473 0.910256
74 G1R G1R 0.525862 0.911392
75 PGD O 0.521368 0.83908
76 DGT 0.521277 0.910256
77 G4M 0.520325 0.869048
78 G G U 0.519231 0.947368
79 G C 0.513514 0.911392
80 93A 0.511364 0.821429
81 IDP 0.505495 0.959459
82 MGQ 0.505155 0.948052
83 C2R 0.5 0.893333
84 BGO 0.5 0.911392
85 AMP 0.5 0.905405
86 AMZ 0.5 0.905405
87 A 0.5 0.905405
88 AIR 0.493671 0.890411
89 MGV 0.49 0.901235
90 SGP 0.488889 0.8375
91 U G A 0.488189 0.9
92 NIA 0.488095 0.8375
93 GPC 0.474138 0.890244
94 G G G RPC 0.473684 0.886076
95 GGM 0.473684 0.888889
96 71V 0.47191 0.85
97 APC G U 0.470085 0.897436
98 MGP 0.46875 0.948052
99 C2E 0.468085 0.933333
100 35G 0.468085 0.945946
101 PCG 0.468085 0.945946
102 G1G 0.466102 0.9125
103 7RA 0.465909 0.918919
104 AAM 0.465909 0.905405
105 RMB 0.465909 0.813333
106 FAI 0.465909 0.905405
107 1RB 0.465116 0.824324
108 6G0 0.463918 0.948052
109 5GP 5GP 0.463158 0.894737
110 G G G C 0.462185 0.924051
111 RBZ 0.45977 0.815789
112 UCG 0.459016 0.923077
113 A G C C 0.458333 0.923077
114 DG DG 0.456311 0.876543
115 G U34 0.45614 0.9
116 IMO 0.449438 0.866667
117 A G U 0.446154 0.9
118 G C C C 0.443548 0.935897
119 IRN 0.443038 0.808219
120 PMO 0.43956 0.792208
121 7RP 0.438202 0.864865
122 GTA 0.436364 0.924051
123 P2P 0.433333 0.842105
124 JLN 0.433333 0.88
125 XMP 0.428571 0.907895
126 PGS 0.425532 0.804878
127 RVP 0.423529 0.84
128 G2Q 0.423077 0.948052
129 ADP 0.419355 0.906667
130 A2D 0.417582 0.881579
131 ABM 0.417582 0.857143
132 GUO 0.415842 0.932432
133 CA0 0.410526 0.883117
134 2SA 0.41 0.871795
135 1YD 0.409091 0.933333
136 4BW 0.409091 0.933333
137 AP2 0.408602 0.871795
138 A12 0.408602 0.871795
139 BA3 0.408602 0.881579
140 6C6 0.408163 0.825
141 25A 0.407767 0.906667
142 NOS 0.406977 0.813333
143 AMP MG 0.406593 0.833333
144 ATP 0.40625 0.906667
145 AP5 0.404255 0.881579
146 B4P 0.404255 0.881579
147 6IA 0.40404 0.785714
148 ACQ 0.40404 0.883117
149 ANP 0.40404 0.883117
150 CGP 0.403361 0.878049
151 3ZE 0.402062 0.871795
152 APC 0.402062 0.871795
153 5FA 0.402062 0.906667
154 AQP 0.402062 0.906667
155 N6P 0.4 0.853333
156 AN2 0.4 0.894737
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4H2W; Ligand: AMP; Similar sites found: 78
This union binding pocket(no: 1) in the query (biounit: 4h2w.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3OJI PYV 0.003265 0.42407 2.6455
2 3ZJX BOG 0.00612 0.43146 2.76817
3 4R38 RBF 0.008326 0.40568 2.85714
4 2VO4 4NM 0.01522 0.41922 3.19635
5 2XGT NSS 0.000003561 0.46671 3.67816
6 5JNN 6LM 0.0118 0.40376 3.68421
7 3REU ATP 0.0000004973 0.59023 3.7415
8 1MDC PLM 0.0005414 0.46335 3.78788
9 3NEM AMO 0.000001077 0.5939 3.8835
10 3NEM ATP 0.0000005608 0.55447 3.8835
11 2ZHL NAG GAL GAL NAG 0.009315 0.40528 4.05405
12 4ZTD ALA GLY ALA GLY ALA 0.0005092 0.49122 4.34783
13 2YMZ LAT 0.01673 0.4033 4.61538
14 4HWT 1B2 0.00006975 0.49706 4.91329
15 5X1M THG 0.002835 0.44271 5.20231
16 5X1M DHB 0.002801 0.44162 5.20231
17 4CS4 ANP 0.000002714 0.59572 5.47445
18 4CS4 AXZ 0.000004151 0.59542 5.47445
19 3HXU A5A 0.0000001765 0.54524 5.82524
20 4K3P ACE GLN LEU ALA LEU PHE 0.002487 0.42941 5.82524
21 3LVW GSH 0.02286 0.40402 5.82524
22 4B7P 9UN 0.02034 0.41483 6.08696
23 5VAD 91Y 0.00001661 0.42098 6.35838
24 4Q0L V14 0.01154 0.40721 6.46388
25 2ZTG A5A 0.000002048 0.54782 6.79612
26 5DMZ ADP 0.002931 0.41338 6.79612
27 1VDC FAD 0.03217 0.40724 6.79612
28 3FP0 FP0 0.003847 0.40225 6.79612
29 3WV6 GAL BGC 0.001205 0.46849 7.76699
30 1B7Y FYA 0.00005488 0.43185 7.76699
31 5F6U 5VK 0.01065 0.41316 7.76699
32 3WV6 GAL GLC 0.01739 0.40188 7.76699
33 1SES AMP 0.000002177 0.5913 7.83848
34 1SES AHX 0.000009052 0.53116 7.83848
35 3BJU ATP 0.000003243 0.54369 8.3815
36 1G51 AMO 0.00001868 0.53852 8.73786
37 3G08 FEE 0.01042 0.4349 9.09091
38 3A7R LAQ 0.02356 0.40339 9.19881
39 2J3M PRI 0.0000007821 0.59549 9.53757
40 2J3M ATP 0.000001181 0.58475 9.53757
41 3E9I XAH 0.000002561 0.58279 9.70874
42 1CHM CMS 0.005296 0.43397 9.70874
43 3ZXE PGZ 0.0001609 0.4328 9.77444
44 3G1Z AMP 0.0000003704 0.56416 10.6796
45 1X54 4AD 0.00000838 0.55049 10.6796
46 5T7I LAT NAG GAL 0.002314 0.45232 10.6796
47 1DZK PRZ 0.009176 0.40168 10.6796
48 3L9R L9R 0.0164 0.41204 11.2245
49 3L9R L9Q 0.01835 0.40649 11.2245
50 5ML3 DL3 0.01073 0.42096 11.4094
51 1WLE SRP 0.00000521 0.54759 11.6505
52 4XMF HSM 0.007967 0.43414 11.6505
53 2XMY CDK 0.03363 0.41433 11.6505
54 4TSZ ACE GLN ALC ASP LEU ZCL 0.004209 0.41302 11.6505
55 2G50 PYR 0.01491 0.40042 11.6505
56 3ERR AMP 0.00002949 0.49432 12.6214
57 1E1O LYS 0.00000291 0.47309 12.6214
58 4IAW LIZ 0.009932 0.41246 12.6214
59 1ZB6 GST 0.01372 0.40775 12.6214
60 1ZB6 DIN 0.0152 0.40435 12.6214
61 4XIZ LPP 0.02279 0.40086 12.6214
62 4WVW SLT 0.0001361 0.52159 13.1944
63 4HWS 1B3 0.000001833 0.4274 13.8728
64 3A5Z KAA 0.00000847 0.55243 14.5631
65 3IAL PR8 0.00002354 0.52547 16.5049
66 3QO8 SSA 0.000009839 0.52955 16.763
67 2JG1 ANP 0.005053 0.41731 20.3883
68 3ITJ FAD 0.03205 0.40732 20.3883
69 4L2H AR6 AR6 0.0204 0.40316 20.3883
70 12AS AMP 0.0001737 0.49349 21.3592
71 3A5Y KAA 0.00000231 0.57628 22.3301
72 5H9Q TD2 0.001637 0.46704 23.2258
73 1KGI T4A 0.009608 0.40788 23.622
74 2CJA ATP 0.000001248 0.56925 26.2136
75 3UH0 TSB 0.0000002936 0.615 27.1845
76 1ERB ETR 0.0138 0.40498 29.1262
77 2CJ9 SSA 0.0000001827 0.61285 30.0578
78 2I4O ATP 0.0000002209 0.57208 33.0097
Pocket No.: 2; Query (leader) PDB : 4H2W; Ligand: 5GP; Similar sites found: 68
This union binding pocket(no: 2) in the query (biounit: 4h2w.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3OJI PYV 0.006072 0.4082 2.6455
2 3ZJX BOG 0.006762 0.43133 2.76817
3 4Z3E GAL NGA GLA BGC GAL 0.01763 0.40376 3.0303
4 2VO4 4NM 0.02876 0.40024 3.19635
5 2XGT NSS 0.00002904 0.44226 3.67816
6 3REU ATP 0.000009404 0.52685 3.7415
7 1MDC PLM 0.0005541 0.45817 3.78788
8 3NEM AMO 0.00001642 0.53288 3.8835
9 3NEM ATP 0.000007255 0.49907 3.8835
10 3TEG DAH 0.005403 0.41225 3.8835
11 3QXV MTX 0.004567 0.40038 3.96825
12 2ZHL NAG GAL GAL NAG 0.01014 0.40557 4.05405
13 4ZTD ALA GLY ALA GLY ALA 0.000406 0.50057 4.34783
14 4HWT 1B2 0.00009577 0.48541 4.91329
15 5X1M DHB 0.0114 0.40941 5.20231
16 5X1M THG 0.01272 0.40842 5.20231
17 4CS4 AXZ 0.00004352 0.53949 5.47445
18 4CS4 ANP 0.00003166 0.53828 5.47445
19 3HXU A5A 0.000001175 0.52266 5.82524
20 4K3P ACE GLN LEU ALA LEU PHE 0.003099 0.42111 5.82524
21 5VAD 91Y 0.00009485 0.40268 6.35838
22 5KEW 6SB 0.02404 0.40192 6.38298
23 4Q0L V14 0.00552 0.41683 6.46388
24 2ZTG A5A 0.00001336 0.52021 6.79612
25 5DMZ ADP 0.003822 0.41312 6.79612
26 3FP0 FP0 0.004228 0.4052 6.79612
27 3WV6 GAL BGC 0.001448 0.46534 7.76699
28 5F6U 5VK 0.01418 0.40405 7.76699
29 1SES AMP 0.000002504 0.59141 7.83848
30 1SES AHX 0.00001103 0.53024 7.83848
31 3BJU ATP 0.000002984 0.53439 8.3815
32 1G51 AMO 0.00003078 0.52247 8.73786
33 3G08 FEE 0.01593 0.42233 9.09091
34 5FUI APY 0.01682 0.41629 9.09091
35 2J3M PRI 0.000007899 0.54289 9.53757
36 2J3M ATP 0.00001586 0.52705 9.53757
37 3E9I XAH 0.00001106 0.54659 9.70874
38 1CHM CMS 0.01389 0.41407 9.70874
39 5J75 6GQ 0.002825 0.40954 9.70874
40 3ZXE PGZ 0.000209 0.42137 9.77444
41 5DQ8 FLF 0.004496 0.41924 10.4167
42 1X54 4AD 0.00001813 0.52885 10.6796
43 3G1Z AMP 0.000007442 0.5022 10.6796
44 5T7I LAT NAG GAL 0.002461 0.45329 10.6796
45 3L9R L9R 0.02047 0.40421 11.2245
46 1WLE SRP 0.000005137 0.54113 11.6505
47 4XMF HSM 0.002731 0.43518 11.6505
48 5JBE MAL 0.006058 0.43047 11.6505
49 4TSZ ACE GLN ALC ASP LEU ZCL 0.00312 0.42095 11.6505
50 2XMY CDK 0.04079 0.40712 11.6505
51 3ERR AMP 0.00001417 0.49727 12.6214
52 1E1O LYS 0.00005225 0.44004 12.6214
53 4IAW LIZ 0.01218 0.41008 12.6214
54 2CSN CKI 0.005945 0.4169 13.1313
55 4WVW SLT 0.0001142 0.53025 13.1944
56 3NRR UMP 0.01275 0.40458 13.5922
57 4HWS 1B3 0.000006766 0.42089 13.8728
58 3A5Z KAA 0.00004673 0.5123 14.5631
59 3IAL PR8 0.0000355 0.51143 16.5049
60 3QO8 SSA 0.00002007 0.51866 16.763
61 12AS AMP 0.0005804 0.46442 21.3592
62 3A5Y KAA 0.00006357 0.50429 22.3301
63 5H9Q TD2 0.002289 0.45855 23.2258
64 2CJA ATP 0.0000008528 0.56372 26.2136
65 3UH0 TSB 0.00000244 0.56578 27.1845
66 1ERB ETR 0.01484 0.4002 29.1262
67 2CJ9 SSA 0.000001597 0.56339 30.0578
68 2I4O ATP 0.00000168 0.52554 33.0097
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