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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: 395
No: Ligand ECFP6 Tc MDL keys Tc
1 A 1 1
2 AMP 1 1
3 A2D 0.833333 0.943662
4 ABM 0.833333 0.943662
5 ADP 0.823529 0.971429
6 A12 0.808824 0.931507
7 AP2 0.808824 0.931507
8 BA3 0.808824 0.943662
9 SRA 0.80303 0.944444
10 AP5 0.797101 0.943662
11 B4P 0.797101 0.943662
12 HEJ 0.788732 0.971429
13 ATP 0.788732 0.971429
14 AT4 0.785714 0.931507
15 AN2 0.785714 0.957747
16 5FA 0.777778 0.971429
17 AQP 0.777778 0.971429
18 APC 0.777778 0.931507
19 CA0 0.774648 0.917808
20 M33 0.774648 0.930556
21 AU1 0.774648 0.944444
22 ADX 0.774648 0.848101
23 ACP 0.763889 0.944444
24 50T 0.763889 0.957747
25 25A 0.75641 0.971429
26 AR6 0.753425 0.943662
27 PRX 0.753425 0.917808
28 APR 0.753425 0.943662
29 ACQ 0.746667 0.944444
30 T99 0.746667 0.931507
31 TAT 0.746667 0.931507
32 SAP 0.743243 0.918919
33 AD9 0.743243 0.944444
34 AGS 0.743243 0.918919
35 RBY 0.743243 0.905405
36 ADV 0.743243 0.905405
37 ANP 0.723684 0.944444
38 ADP PO3 0.72 0.942857
39 6YZ 0.717949 0.944444
40 5AL 0.714286 0.930556
41 SON 0.712329 0.931507
42 LMS 0.710145 0.825
43 RAB 0.709677 0.842857
44 XYA 0.709677 0.842857
45 ADN 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 ADP ALF 0.683544 0.868421
54 ALF ADP 0.683544 0.868421
55 ADQ 0.682927 0.917808
56 MAP 0.679012 0.918919
57 ADP VO4 0.675 0.930556
58 VO4 ADP 0.675 0.930556
59 OOB 0.670732 0.930556
60 9ZA 0.670732 0.906667
61 8QN 0.670732 0.930556
62 5SV 0.670732 0.87013
63 9ZD 0.670732 0.906667
64 PTJ 0.670588 0.894737
65 AOC 0.666667 0.84507
66 PAJ 0.662651 0.858974
67 4AD 0.662651 0.893333
68 A3R 0.662651 0.881579
69 A1R 0.662651 0.881579
70 AMO 0.662651 0.905405
71 5N5 0.661538 0.816901
72 DAL AMP 0.658537 0.90411
73 IMO 0.657534 0.928571
74 AHX 0.654762 0.87013
75 00A 0.654762 0.881579
76 DLL 0.654762 0.930556
77 5AS 0.653333 0.776471
78 A4D 0.651515 0.816901
79 5CD 0.651515 0.828571
80 9X8 0.647059 0.893333
81 OAD 0.647059 0.917808
82 3UK 0.647059 0.917808
83 ADP BMA 0.647059 0.891892
84 25L 0.643678 0.957747
85 PR8 0.639535 0.848101
86 WAQ 0.639535 0.881579
87 LAD 0.639535 0.858974
88 B5V 0.639535 0.905405
89 DTA 0.637681 0.808219
90 V3L 0.6375 0.971429
91 3DH 0.633803 0.794521
92 BIS 0.632184 0.906667
93 ME8 0.632184 0.8375
94 3OD 0.632184 0.917808
95 FYA 0.632184 0.930556
96 NB8 0.632184 0.87013
97 1ZZ 0.632184 0.8375
98 TXA 0.632184 0.905405
99 MTA 0.628571 0.794521
100 3AM 0.625 0.956522
101 EP4 0.623188 0.773333
102 A A 0.62069 0.971429
103 9SN 0.617977 0.87013
104 M2T 0.614286 0.753247
105 JB6 0.613636 0.881579
106 YAP 0.611111 0.893333
107 B5Y 0.611111 0.893333
108 FA5 0.611111 0.905405
109 B5M 0.611111 0.893333
110 MYR AMP 0.606742 0.814815
111 G5A 0.604938 0.776471
112 XAH 0.604396 0.8375
113 4UV 0.597826 0.893333
114 71V 0.597403 0.906667
115 ATP A A A 0.593407 0.929577
116 PAP 0.592593 0.957143
117 G3A 0.591398 0.894737
118 2AM 0.589041 0.942857
119 5X8 0.5875 0.783784
120 6RE 0.586667 0.779221
121 6C6 0.585366 0.905405
122 AFH 0.585106 0.858974
123 4UU 0.585106 0.893333
124 G5P 0.585106 0.894737
125 GA7 0.585106 0.905405
126 7D3 0.584416 0.878378
127 A5A 0.583333 0.804878
128 TSB 0.581395 0.795181
129 AMP DBH 0.580645 0.891892
130 TYR AMP 0.580645 0.868421
131 2A5 0.580247 0.891892
132 DQV 0.578947 0.930556
133 DSH 0.578947 0.74359
134 GTA 0.578947 0.860759
135 TAD 0.578947 0.858974
136 6IA 0.578313 0.858974
137 SSA 0.576471 0.776471
138 AMZ 0.575342 0.888889
139 C2R 0.575342 0.876712
140 PGS 0.575 0.857143
141 7D4 0.575 0.878378
142 ZAS 0.573333 0.786667
143 ATR 0.573171 0.942857
144 LAQ 0.572917 0.8375
145 AAM 0.571429 1
146 J7C 0.571429 0.789474
147 A3N 0.571429 0.783784
148 PPS 0.571429 0.848101
149 AIR 0.571429 0.927536
150 52H 0.569767 0.776471
151 54H 0.569767 0.785714
152 VMS 0.569767 0.785714
153 AR6 AR6 0.568421 0.916667
154 ARG AMP 0.568421 0.82716
155 7MD 0.568421 0.8375
156 YLP 0.56701 0.817073
157 48N 0.56701 0.87013
158 OVE 0.565789 0.90411
159 UPA 0.565657 0.881579
160 2SA 0.564706 0.905405
161 S4M 0.564103 0.682353
162 5CA 0.563218 0.776471
163 53H 0.563218 0.776471
164 8X1 0.563218 0.75
165 UP5 0.561224 0.893333
166 NAI 0.561224 0.881579
167 6V0 0.561224 0.87013
168 NAX 0.561224 0.848101
169 4UW 0.561224 0.858974
170 DND 0.561224 0.905405
171 TXD 0.561224 0.881579
172 NXX 0.561224 0.905405
173 NIA 0.56 0.820513
174 D5M 0.558442 0.902778
175 DA 0.558442 0.902778
176 MAO 0.556962 0.777778
177 AHZ 0.556701 0.814815
178 OMR 0.555556 0.82716
179 ITT 0.555556 0.915493
180 TYM 0.555556 0.905405
181 TXE 0.555556 0.881579
182 5AD 0.552239 0.768116
183 A2R 0.551724 0.957747
184 LPA AMP 0.55102 0.814815
185 DSZ 0.550562 0.776471
186 NSS 0.550562 0.776471
187 LSS 0.550562 0.758621
188 AP0 0.55 0.87013
189 YLC 0.55 0.8375
190 4TC 0.55 0.87013
191 YLB 0.55 0.817073
192 P5A 0.549451 0.741573
193 139 0.54902 0.848101
194 A4P 0.544554 0.819277
195 NVA LMS 0.544444 0.75
196 GJV 0.544304 0.769231
197 7D7 0.544118 0.763889
198 9K8 0.543478 0.711111
199 A7D 0.54321 0.797297
200 AF3 ADP 3PG 0.54 0.835443
201 6K6 0.539326 0.957143
202 IOT 0.539216 0.829268
203 A3G 0.538462 0.797297
204 LEU LMS 0.538462 0.75
205 A5D 0.535714 0.808219
206 7MC 0.534653 0.817073
207 T5A 0.533981 0.817073
208 ADJ 0.533981 0.82716
209 YLA 0.533981 0.817073
210 GSU 0.532609 0.776471
211 KAA 0.532609 0.75
212 7RA 0.531646 0.985507
213 SFG 0.53012 0.77027
214 SAH 0.529412 0.763158
215 HFD 0.529412 0.918919
216 AYB 0.528846 0.807229
217 CNA 0.528846 0.905405
218 N6P 0.527473 0.942029
219 8BR 0.525 0.931507
220 F2R 0.52381 0.839506
221 80F 0.523364 0.817073
222 Y3J 0.521127 0.746479
223 YSA 0.520833 0.776471
224 7RP 0.518987 0.955882
225 BTX 0.518868 0.839506
226 NAD 0.518868 0.930556
227 COD 0.518868 0.788235
228 G A A A 0.518868 0.87013
229 MHZ 0.518072 0.714286
230 SA8 0.517647 0.725
231 6AD 0.517241 0.883117
232 DZD 0.514019 0.858974
233 BT5 0.514019 0.829268
234 RMB 0.5125 0.898551
235 SAI 0.511628 0.753247
236 AV2 0.511364 0.890411
237 8PZ 0.510417 0.776471
238 A3D 0.509259 0.917808
239 A3S 0.506024 0.808219
240 3AT 0.505747 0.943662
241 SAM 0.505747 0.707317
242 SMM 0.505618 0.702381
243 NA7 0.505376 0.931507
244 4TA 0.504673 0.804878
245 AMP NAD 0.504673 0.90411
246 EEM 0.5 0.707317
247 G 0.5 0.905405
248 NEC 0.5 0.743243
249 5GP 0.5 0.905405
250 AAT 0.5 0.725
251 YLY 0.495495 0.807229
252 M24 0.495495 0.848101
253 7C5 0.494949 0.815789
254 DAT 0.494118 0.878378
255 A3T 0.494118 0.819444
256 P2P 0.493827 0.928571
257 FAI 0.493827 0.888889
258 1RB 0.493671 0.911765
259 NAE 0.491071 0.893333
260 U A 0.490909 0.906667
261 NAJ PZO 0.490909 0.846154
262 A G 0.490741 0.881579
263 TM1 0.489583 0.771084
264 A A A 0.489362 0.90411
265 A6D 0.489362 0.740741
266 PO4 PO4 A A A A PO4 0.489362 0.901408
267 S7M 0.488889 0.707317
268 DTP 0.488636 0.878378
269 RBZ 0.4875 0.873239
270 101 0.4875 0.902778
271 EAD 0.486957 0.848101
272 NAQ 0.486726 0.87013
273 U A G G 0.486239 0.881579
274 4YB 0.485149 0.758621
275 NDE 0.483051 0.931507
276 ZID 0.482456 0.917808
277 N0B 0.482456 0.817073
278 WSA 0.480769 0.785714
279 RGT 0.479592 0.931507
280 ARU 0.478723 0.835443
281 GGZ 0.478261 0.8
282 JLN 0.47561 0.863014
283 ANZ 0.475248 0.820513
284 QQY 0.475 0.837838
285 ACK 0.475 0.885714
286 NAJ PYZ 0.473684 0.804878
287 S8M 0.473118 0.779221
288 GEK 0.473118 0.734177
289 AVV 0.473118 0.87013
290 3AD 0.472973 0.828571
291 A U 0.471698 0.868421
292 P1H 0.470588 0.82716
293 0UM 0.468085 0.716049
294 RVP 0.467532 0.847222
295 649 0.466667 0.741573
296 Z5A 0.465517 0.776471
297 PMO 0.464286 0.873239
298 SXZ 0.463918 0.707317
299 62X 0.463158 0.682353
300 QQX 0.4625 0.826667
301 8Q2 0.462264 0.75
302 2VA 0.45977 0.797297
303 IMP 0.458824 0.90411
304 K15 0.458333 0.698795
305 CC5 0.458333 0.84058
306 AS 0.457831 0.855263
307 DDS 0.455556 0.851351
308 V1N 0.455446 0.943662
309 NJP 0.454545 0.918919
310 7DD 0.453488 0.957143
311 93A 0.453488 0.804878
312 G7M 0.453488 0.87013
313 3L1 0.453333 0.77027
314 3D1 0.453333 0.77027
315 EO7 0.452381 0.785714
316 NDC 0.45082 0.87013
317 FB0 0.45082 0.781609
318 0WD 0.45045 0.894737
319 NVA 2AD 0.449438 0.75641
320 26A 0.447368 0.76
321 2FA 0.447368 0.810811
322 2BA 0.447059 0.914286
323 CMP 0.447059 0.927536
324 D3Y 0.446809 0.786667
325 KB1 0.444444 0.716049
326 APU 0.444444 0.893333
327 VRT 0.444444 0.766234
328 SO8 0.444444 0.786667
329 FDA 0.443548 0.809524
330 PUA 0.443478 0.858974
331 ODP 0.441441 0.883117
332 6FA 0.44 0.817073
333 103 0.439024 0.861111
334 RP1 0.439024 0.864865
335 SP1 0.439024 0.864865
336 3NZ 0.438776 0.779221
337 A C A C 0.438596 0.846154
338 7DT 0.438202 0.957143
339 NDP 0.436364 0.894737
340 NPW 0.436364 0.860759
341 MTP 0.434211 0.727273
342 FAS 0.433071 0.82716
343 SFD 0.433071 0.712766
344 FAD 0.433071 0.82716
345 IRN 0.432432 0.867647
346 ZZB 0.432432 0.792683
347 TXP 0.432432 0.894737
348 NZQ 0.432432 0.883117
349 62F 0.430769 0.8375
350 FNK 0.430769 0.781609
351 128 0.429907 0.752941
352 1DA 0.428571 0.842857
353 6MD 0.428571 0.805556
354 PAX 0.428571 0.82716
355 SLU 0.426087 0.767442
356 XNP 0.424779 0.848101
357 12D 0.424528 0.761905
358 5F1 0.423077 0.72973
359 ETB 0.422414 0.809524
360 DCA 0.422414 0.8
361 F0P 0.422018 0.725
362 WMP 0.421053 0.864865
363 GUO 0.421053 0.864865
364 FAY 0.416667 0.8375
365 38Y 0.415929 0.804878
366 5J9 0.415842 0.728395
367 COA 0.415254 0.8
368 0T1 0.415254 0.8
369 KH3 0.415094 0.690476
370 U A C C 0.413793 0.857143
371 N01 0.413793 0.90411
372 FMP 0.413793 0.871429
373 RFL 0.413534 0.797619
374 NMN AMP PO4 0.412281 0.868421
375 GP2 0.408602 0.858974
376 GDP 0.408602 0.893333
377 NAP 0.408333 0.944444
378 NOC 0.407895 0.760563
379 2ER 0.405941 0.831169
380 1PR 0.405941 0.820513
381 P5F 0.405797 0.8
382 CAO 0.404959 0.772727
383 TAP 0.404959 0.906667
384 30N 0.404959 0.731183
385 COS 0.404959 0.781609
386 AMX 0.404959 0.809524
387 XMP 0.402299 0.891892
388 G2P 0.402062 0.858974
389 APC G U 0.401709 0.833333
390 U A A U 0.401639 0.906667
391 CMX 0.401639 0.8
392 NA0 0.401639 0.931507
393 SCO 0.401639 0.8
394 9JJ 0.40146 0.8375
395 F2N 0.4 0.790698
Ligand no: 2; Ligand: 5GP; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 G 1 1
2 5GP 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 G1R 0.765432 0.973333
11 GCP 0.765432 0.960526
12 GAV 0.759036 0.948052
13 GSP 0.756098 0.935897
14 GNP 0.756098 0.960526
15 9GM 0.756098 0.960526
16 ALF 5GP 0.753086 0.9
17 GMP 0.732394 0.866667
18 GPG 0.724138 0.948052
19 G2R 0.712644 0.948052
20 ALF GDP 0.701149 0.9
21 GDP ALF 0.701149 0.9
22 GDP AF3 0.701149 0.9
23 GKE 0.692308 0.948052
24 Y9Z 0.692308 0.890244
25 GDC 0.692308 0.948052
26 GDD 0.692308 0.948052
27 YGP 0.681319 0.9125
28 G3A 0.677419 0.960526
29 G5P 0.670213 0.960526
30 GFB 0.666667 0.948052
31 GDR 0.666667 0.948052
32 GTG 0.666667 0.924051
33 6CK 0.659574 0.924051
34 3GP 0.65 0.959459
35 G G 0.648936 0.960526
36 GKD 0.645833 0.948052
37 JB2 0.645833 0.948052
38 GDX 0.639175 0.960526
39 GPD 0.639175 0.9125
40 GDP 7MG 0.635417 0.923077
41 G3D 0.617977 0.972973
42 U2G 0.617647 0.924051
43 2GP 0.609756 0.946667
44 IMP 0.609756 0.972603
45 JB3 0.607843 0.935897
46 CG2 0.605769 0.924051
47 G4P 0.604396 0.972973
48 DGP 0.60241 0.922078
49 DG 0.60241 0.922078
50 FEG 0.601942 0.890244
51 NGD 0.601942 0.948052
52 ZGP 0.596154 0.879518
53 0O2 0.595745 0.972973
54 2MD 0.584906 0.879518
55 G7M 0.583333 0.960526
56 CAG 0.583333 0.869048
57 G A A A 0.579439 0.935065
58 A G 0.579439 0.947368
59 U A G G 0.574074 0.947368
60 MGD 0.568807 0.879518
61 DBG 0.566372 0.935897
62 PGD 0.5625 0.9125
63 MD1 0.5625 0.879518
64 P2G 0.55814 0.894737
65 GCP G 0.556701 0.933333
66 FE9 0.553571 0.784946
67 P1G 0.545455 0.883117
68 GH3 0.542553 0.96
69 TPG 0.53913 0.829545
70 GPX 0.53125 0.933333
71 DGI 0.527473 0.910256
72 G1R G1R 0.525862 0.911392
73 G U 0.522936 0.911392
74 PGD O 0.521368 0.83908
75 DGT 0.521277 0.910256
76 G4M 0.520325 0.869048
77 AKW 0.513761 0.878049
78 G C 0.513514 0.911392
79 93A 0.511364 0.821429
80 IDP 0.505495 0.959459
81 MGQ 0.505155 0.948052
82 C2R 0.5 0.893333
83 A 0.5 0.905405
84 AMZ 0.5 0.905405
85 BGO 0.5 0.911392
86 AMP 0.5 0.905405
87 AIR 0.493671 0.890411
88 MGV 0.49 0.901235
89 SGP 0.488889 0.8375
90 NIA 0.488095 0.8375
91 GPC 0.474138 0.890244
92 G G G RPC 0.473684 0.886076
93 GGM 0.473684 0.888889
94 71V 0.47191 0.85
95 APC G U 0.470085 0.897436
96 R5I 0.46875 0.933333
97 R7I 0.46875 0.933333
98 MGP 0.46875 0.948052
99 35G 0.468085 0.945946
100 PCG 0.468085 0.945946
101 C2E 0.468085 0.933333
102 G1G 0.466102 0.9125
103 AAM 0.465909 0.905405
104 RMB 0.465909 0.813333
105 FAI 0.465909 0.905405
106 7RA 0.465909 0.918919
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 JLN 0.433333 0.88
124 P2P 0.433333 0.842105
125 A G U U 0.42963 0.9
126 XMP 0.428571 0.907895
127 PGS 0.425532 0.804878
128 RVP 0.423529 0.84
129 G2Q 0.423077 0.948052
130 ADP 0.419355 0.906667
131 ABM 0.417582 0.857143
132 A2D 0.417582 0.881579
133 PRT 0.416667 0.945946
134 GUO 0.415842 0.932432
135 AT4 0.414894 0.871795
136 CA0 0.410526 0.883117
137 2SA 0.41 0.871795
138 1YD 0.409091 0.933333
139 4BW 0.409091 0.933333
140 A12 0.408602 0.871795
141 AP2 0.408602 0.871795
142 BA3 0.408602 0.881579
143 6C6 0.408163 0.825
144 25A 0.407767 0.906667
145 NOS 0.406977 0.813333
146 HEJ 0.40625 0.906667
147 ATP 0.40625 0.906667
148 AP5 0.404255 0.881579
149 B4P 0.404255 0.881579
150 ACQ 0.40404 0.883117
151 6IA 0.40404 0.785714
152 ANP 0.40404 0.883117
153 CGP 0.403361 0.878049
154 APC 0.402062 0.871795
155 3ZE 0.402062 0.871795
156 5FA 0.402062 0.906667
157 AQP 0.402062 0.906667
158 N6P 0.4 0.853333
159 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 with APoc: 142
This union binding pocket(no: 1) in the query (biounit: 4h2w.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5GLT BGC GAL NAG GAL 1.40845
2 4K55 H6P 2.41935
3 3OJI PYV 2.6455
4 3ZJX BOG 2.76817
5 4R38 RBF 2.85714
6 1M5B BN1 2.91262
7 2D6M LBT 3.14465
8 2VO4 4NM 3.19635
9 1NXJ TLA 3.27869
10 2XGT NSS 3.67816
11 5JNN 6LM 3.68421
12 3REU ATP 3.7415
13 1MDC PLM 3.78788
14 5HWV MBN 3.84615
15 3NEM ATP 3.8835
16 3NEM AMO 3.8835
17 1A5Z FBP 3.8835
18 5UR6 8KM 3.8835
19 2ZHL NAG GAL GAL NAG 4.05405
20 4ZTD ALA GLY ALA GLY ALA 4.34783
21 3M3E GAL A2G NPO 4.34783
22 3OYW TDG 4.47761
23 6FOF LAT 4.59184
24 2YMZ LAT 4.61538
25 1ULE GLA GAL NAG 4.66667
26 3SAO DBH 4.85437
27 4L4J NAG NAG BMA MAN NAG 4.85437
28 1ELI PYC 4.85437
29 5DYO FLU 4.85437
30 4HWT 1B2 4.91329
31 4YRI 4JH 4.91329
32 3VV1 GAL FUC 5
33 5X1M THG 5.20231
34 5X1M DHB 5.20231
35 3ZO7 K6H 5.31915
36 4CS4 AXZ 5.47445
37 4CS4 ANP 5.47445
38 2ART LPA AMP 5.72519
39 3HXU A5A 5.82524
40 3QSB 743 5.82524
41 3LVW GSH 5.82524
42 4YLZ LAT NAG GAL 5.88235
43 4B7P 9UN 6.08696
44 2AG4 OLA 6.09756
45 2AG4 LP3 6.09756
46 1QY1 PRZ 6.32184
47 5VAD 91Y 6.35838
48 4WW8 VD9 6.46388
49 3NV3 GAL NAG MAN 6.52174
50 1DCP HBI 6.73077
51 2ZTG A5A 6.79612
52 5DMZ ADP 6.79612
53 3FP0 FP0 6.79612
54 4WUP 3UF 6.79612
55 3TW1 AHN 7.173
56 5ACM MBT 7.20721
57 5DRB 5FJ 7.2165
58 6GR0 F8W 7.47126
59 3WV6 GAL BGC 7.76699
60 1B7Y FYA 7.76699
61 4RD0 GDP 7.76699
62 6D61 4AA 7.76699
63 3HQP OXL 7.76699
64 2QPU QPU 7.76699
65 5F6U 5VK 7.76699
66 4WHZ 3NL 7.76699
67 2QPU QPS 7.76699
68 3WV6 GAL GLC 7.76699
69 1SES AMP 7.83848
70 1SES AHX 7.83848
71 3BJU ATP 8.3815
72 1G51 AMO 8.73786
73 5DBX ANP 8.73786
74 5WS9 OXL 8.73786
75 1IS3 LAT 8.88889
76 3RWP ABQ 9.00322
77 3G08 FEE 9.09091
78 3A7R LAQ 9.19881
79 2GJ5 VD3 9.25926
80 2J3M ATP 9.53757
81 2J3M PRI 9.53757
82 5NLD LBT 9.70874
83 3E9I XAH 9.70874
84 1CHM CMS 9.70874
85 2NNQ T4B 9.70874
86 3ZXE PGZ 9.77444
87 3G1Z AMP 10.6796
88 1X54 4AD 10.6796
89 5T7I LAT NAG GAL 10.6796
90 1DZK PRZ 10.6796
91 3M94 M7M 10.6796
92 3L9R L9R 11.2245
93 3L9R L9Q 11.2245
94 1HBK MYR 11.236
95 5ML3 DL3 11.4094
96 1WLE SRP 11.6505
97 3QRC SCR 11.6505
98 4XMF HSM 11.6505
99 5XIJ ANP 11.6505
100 5XIJ 873 11.6505
101 2XMY CDK 11.6505
102 4TSZ ACE GLN ALC ASP LEU ZCL 11.6505
103 2FTB OLA 12
104 3ERR AMP 12.6214
105 1E1O LYS 12.6214
106 5G48 1FL 12.6214
107 4IAW LIZ 12.6214
108 1ZB6 GST 12.6214
109 1ZB6 DIN 12.6214
110 4XIZ LPP 12.6214
111 4WVW SLT 13.1944
112 1I7E IBS 13.5849
113 4YDQ ANP 13.5922
114 4YDQ HFG 13.5922
115 4HWS 1B3 13.8728
116 5XIO ANP 14.5631
117 3A5Z KAA 14.5631
118 3WW2 SF9 15.534
119 3IAL PR8 16.5049
120 4KTP BGC 16.5049
121 3QO8 SSA 16.763
122 5JSP DQY 17.4757
123 6B3V ANP 18.4466
124 5H9P TD2 19.4175
125 5HV7 RBL 20.3883
126 2JG1 ANP 20.3883
127 3ITJ FAD 20.3883
128 4L2H AR6 AR6 20.3883
129 4J36 FAD 20.3883
130 1YUM NCN 21.3592
131 12AS AMP 21.3592
132 5ZMY TAR 21.3592
133 3WG3 A2G GAL NAG FUC 21.9101
134 3A5Y KAA 22.3301
135 5H9Q TD2 23.2258
136 1KGI T4A 23.622
137 2CJA ATP 26.2136
138 3UH0 TSB 27.1845
139 5V59 8X1 28.1553
140 1ERB ETR 29.1262
141 2CJ9 SSA 30.0578
142 2I4O ATP 33.0097
Pocket No.: 2; Query (leader) PDB : 4H2W; Ligand: 5GP; Similar sites found with APoc: 143
This union binding pocket(no: 2) in the query (biounit: 4h2w.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4TWL ASC 0.813008
2 5GLT BGC GAL NAG GAL 1.40845
3 3OJI PYV 2.6455
4 3ZJX BOG 2.76817
5 5YJS SAL 2.89017
6 1M5B BN1 2.91262
7 6CWH 6LA 2.91262
8 4Z3E GAL NGA GLA BGC GAL 3.0303
9 2D6M LBT 3.14465
10 2VO4 4NM 3.19635
11 1NXJ TLA 3.27869
12 2XGT NSS 3.67816
13 3REU ATP 3.7415
14 1MDC PLM 3.78788
15 5HWV MBN 3.84615
16 3NEM ATP 3.8835
17 3NEM AMO 3.8835
18 1A5Z FBP 3.8835
19 3TEG DAH 3.8835
20 3QXV MTX 3.96825
21 2ZHL NAG GAL GAL NAG 4.05405
22 4ZTD ALA GLY ALA GLY ALA 4.34783
23 3M3E GAL A2G NPO 4.34783
24 6FOF LAT 4.59184
25 1ULE GLA GAL NAG 4.66667
26 4L4J NAG NAG BMA MAN NAG 4.85437
27 5DYO FLU 4.85437
28 6EWZ APC 4.85437
29 1ELI PYC 4.85437
30 4HWT 1B2 4.91329
31 4YRI 4JH 4.91329
32 5X1M DHB 5.20231
33 5X1M THG 5.20231
34 3ZO7 K6H 5.31915
35 4CS4 AXZ 5.47445
36 4CS4 ANP 5.47445
37 6MPT C30 5.59441
38 2ART LPA AMP 5.72519
39 3HXU A5A 5.82524
40 3QSB 743 5.82524
41 4YLZ LAT NAG GAL 5.88235
42 2AG4 OLA 6.09756
43 2AG4 LP3 6.09756
44 1QY1 PRZ 6.32184
45 5VAD 91Y 6.35838
46 5KEW 6SB 6.38298
47 4WW8 VD9 6.46388
48 3NV3 GAL NAG MAN 6.52174
49 3CBC DBS 6.56566
50 1DCP HBI 6.73077
51 2ZTG A5A 6.79612
52 5DMZ ADP 6.79612
53 3FP0 FP0 6.79612
54 5LXB 7A9 6.79612
55 2DXU BT5 6.80851
56 3TW1 AHN 7.173
57 5ACM MBT 7.20721
58 2GTF P1R 7.22222
59 3WV6 GAL BGC 7.76699
60 1B7Y FYA 7.76699
61 4RD0 GDP 7.76699
62 3HQP OXL 7.76699
63 6D61 4AA 7.76699
64 2QPU QPU 7.76699
65 5F6U 5VK 7.76699
66 2QPU QPS 7.76699
67 5AEW BNL 7.80347
68 1SES AMP 7.83848
69 1SES AHX 7.83848
70 6GNO XDI 8.14815
71 6GVZ CHO 8.19672
72 3BJU ATP 8.3815
73 1G51 AMO 8.73786
74 1UNB AKG 8.73786
75 1UNB PN1 8.73786
76 5WS9 OXL 8.73786
77 1IS3 LAT 8.88889
78 3G08 FEE 9.09091
79 5FUI APY 9.09091
80 2GJ5 VD3 9.25926
81 2J3M PRI 9.53757
82 2J3M ATP 9.53757
83 5NLD LBT 9.70874
84 3E9I XAH 9.70874
85 5J75 6GQ 9.70874
86 1CHM CMS 9.70874
87 4IMO PWZ 9.70874
88 3ZXE PGZ 9.77444
89 5DQ8 FLF 10.4167
90 3G1Z AMP 10.6796
91 1X54 4AD 10.6796
92 5T7I LAT NAG GAL 10.6796
93 3L9R L9R 11.2245
94 1WLE SRP 11.6505
95 5XIJ 873 11.6505
96 4XMF HSM 11.6505
97 5JBE MAL 11.6505
98 4TSZ ACE GLN ALC ASP LEU ZCL 11.6505
99 1Y7P RIP 11.6505
100 2XMY CDK 11.6505
101 5XIJ ANP 11.6505
102 4RF7 ARG 11.6505
103 3ERR AMP 12.6214
104 5G48 1FL 12.6214
105 1E1O LYS 12.6214
106 4IAW LIZ 12.6214
107 2CSN CKI 13.1313
108 4WVW SLT 13.1944
109 1I7E IBS 13.5849
110 4YDQ ANP 13.5922
111 4YDQ HFG 13.5922
112 3NRR UMP 13.5922
113 3NRR D16 13.5922
114 4HWS 1B3 13.8728
115 5XIO ANP 14.5631
116 3A5Z KAA 14.5631
117 4M6T SAM 14.7541
118 3WW2 SF9 15.534
119 2QL9 CIT 16.185
120 3IAL PR8 16.5049
121 4KTP BGC 16.5049
122 3QO8 SSA 16.763
123 5JSP DQY 17.4757
124 5JIB OIA 18.4466
125 6B3V ANP 18.4466
126 6B3V 7DQ 18.4466
127 4WOE ADP 18.4466
128 5H9P TD2 19.4175
129 5HV7 RBL 20.3883
130 1YUM NCN 21.3592
131 12AS AMP 21.3592
132 3WG3 A2G GAL NAG FUC 21.9101
133 3A5Y KAA 22.3301
134 5H9Q TD2 23.2258
135 3A16 PXO 24.2718
136 2CJA ATP 26.2136
137 3UH0 TSB 27.1845
138 5V59 8X1 28.1553
139 1ERB ETR 29.1262
140 2CJ9 SSA 30.0578
141 5VNF VAL THR SER VAL VAL 32.0388
142 2I4O ATP 33.0097
143 6GW4 CHO 33.0097
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