-->
Receptor
PDB id Resolution Class Description Source Keywords
4MPO 1.9 Å EC: 3.-.-.- 1.90 A RESOLUTION STRUCTURE OF CT771 FROM CHLAMYDIA TRACHOMA TO HYDROLYZED AP4A PRODUCTS CHLAMYDIA TRACHOMATIS HYPOTHETICAL PROTEIN NUDIX AP4A BINARY COMPLEX HYDROLASE
Ref.: CHLAMYDIA TRACHOMATIS CT771 (NUDH) IS AN ASYMMETRIC HYDROLASE. BIOCHEMISTRY V. 53 214 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:204;
D:206;
H:203;
G:205;
H:205;
B:205;
F:203;
A:205;
A:206;
F:204;
D:204;
B:204;
C:202;
C:206;
H:204;
C:201;
G:203;
B:206;
G:204;
E:207;
E:206;
H:206;
D:205;
F:205;
E:201;
C:205;
E:205;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
AMP E:204;
C:204;
F:201;
A:202;
D:202;
H:201;
G:201;
B:202;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
347.221 C10 H14 N5 O7 P c1nc(...
CL A:201;
B:201;
H:207;
D:201;
E:202;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
PO4 H:202;
A:203;
G:202;
E:203;
F:202;
D:203;
C:203;
B:203;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4MPO 1.9 Å EC: 3.-.-.- 1.90 A RESOLUTION STRUCTURE OF CT771 FROM CHLAMYDIA TRACHOMA TO HYDROLYZED AP4A PRODUCTS CHLAMYDIA TRACHOMATIS HYPOTHETICAL PROTEIN NUDIX AP4A BINARY COMPLEX HYDROLASE
Ref.: CHLAMYDIA TRACHOMATIS CT771 (NUDH) IS AN ASYMMETRIC HYDROLASE. BIOCHEMISTRY V. 53 214 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 4MPO - AMP C10 H14 N5 O7 P c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 4MPO - AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 4MPO - AMP C10 H14 N5 O7 P 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4MPO; Ligand: AMP; Similar sites found with APoc: 71
This union binding pocket(no: 1) in the query (biounit: 4mpo.bio5) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 2YJ0 420 None
2 3E2M E2M 1.96078
3 5WL0 21G 1.96078
4 3SAO NKN 1.96078
5 5Y79 3PG 2.61438
6 2VQZ MGT 2.61438
7 4NBW NAD 2.61438
8 3FP0 FP0 2.61438
9 2XCG XCG 2.61438
10 5LJB RTL 2.96296
11 4OYA 1VE 3.26797
12 1U8X NAD 3.26797
13 3WG6 NDP 3.26797
14 5KWY C3S 3.26797
15 4N70 2HX 3.26797
16 5N87 N66 3.26797
17 4C8E C5P 3.26797
18 5IXG OTP 3.26797
19 5HW4 SAM 3.26797
20 5A89 ADP 3.92157
21 5A89 FMN 3.92157
22 4LIT AKG 3.92157
23 5D2R 56W 3.92157
24 6GFK SAH 3.92157
25 5NTW 98N 4.57516
26 5NI5 8YB 4.57516
27 5NCJ HL5 4.57516
28 5NCJ SIN 4.57516
29 3JRS A8S 4.57516
30 2ZW5 COA 4.57516
31 6ESN BWE 4.57516
32 1DY4 SNP 4.57516
33 5AEW BNL 4.57516
34 6EJ2 B7E 4.57516
35 1RSG FAD 4.57516
36 6BHV DQV 4.57516
37 2PD4 NAD 4.57516
38 3DX5 DHB 5.22876
39 2YNC YNC 5.22876
40 1X7D ORN 5.22876
41 5BRT FAD 5.22876
42 6EUW BYB 5.88235
43 2GPT SKM 5.88235
44 2X06 NAD 5.88235
45 3TNF GNP 5.88235
46 3T4L ZEA 5.88235
47 5TBM 79A 5.98291
48 1J78 VDY 6.53595
49 1U70 NDP 7.18954
50 1U70 MTX 7.18954
51 2RCU BUJ 7.18954
52 4EIL FOL 7.18954
53 5C3R AKG 7.18954
54 5C3R HMU 7.18954
55 3IGZ 2PG 8.49673
56 3IGZ 3PG 8.49673
57 3F8K COA 9.15033
58 1QHO ABD 9.80392
59 1QV1 CZH 10.4575
60 1KEV NDP 11.7647
61 3IES M24 12.4183
62 5V13 JH3 12.4183
63 4S3F 43W 12.4183
64 1F5F DHT 14.3791
65 2P1M IHP 17.6471
66 1T36 ADP 18.3007
67 5TUZ SAM 19.6078
68 5TUZ 7L6 19.6078
69 3SWC SAH 19.6078
70 5BO9 SIA GAL NGS 24.183
71 1KTG AMP 47.1014
Pocket No.: 2; Query (leader) PDB : 4MPO; Ligand: AMP; Similar sites found with APoc: 34
This union binding pocket(no: 2) in the query (biounit: 4mpo.bio3) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 5HVA DUP None
2 1H65 GDP 1.30719
3 1T27 PCW 1.96078
4 2HKA C3S 2.30769
5 5OQW A4E 3.14961
6 6CDG PRO GLY LEU TRP LYS SER 3.26797
7 2ZUV NDG 3.26797
8 3O2K DST 3.92157
9 5Y72 DST 3.92157
10 2QDT I38 4.57516
11 4NBT NAD 4.57516
12 2RKV COA 5.22876
13 3C5E ATP 5.22876
14 1PVN MZP 5.22876
15 1VPV PLM 5.88235
16 3GIQ G01 5.88235
17 2CER PGI 5.88235
18 3UA1 08Y 6.53595
19 5NUF NAD 7.18954
20 4PFT MAB 7.84314
21 4LA7 A1O 7.84314
22 6GNC FAD 7.84314
23 1UU1 PMP HSA 8.49673
24 3HDY FAD 8.49673
25 5MHB PBG 8.49673
26 3HDY GDU 8.49673
27 3HDY FDA 8.49673
28 3KO8 NAD 9.15033
29 5NDF UDP 9.15033
30 2AZ5 307 10.8108
31 4MLO PAM 11.1111
32 5XLX SAH 13.0719
33 1OMZ UD2 18.3007
34 3HNA SAH 19.6078
Pocket No.: 3; Query (leader) PDB : 4MPO; Ligand: AMP; Similar sites found with APoc: 69
This union binding pocket(no: 3) in the query (biounit: 4mpo.bio4) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 5NKN LOC None
2 6EUX BYB 1.96078
3 1XPK CAA 1.96078
4 2VNI FAD 2.61438
5 2VNI A2P 2.61438
6 4PTX BGC 2.61438
7 4C2X NHW 2.61438
8 1U00 GLU LEU PRO PRO VAL LYS ILE HIS CYS 2.61438
9 5AYE BMA BMA 2.61438
10 2D3N GLC 2.61438
11 2D3N GLC GLC GLC GLC GLC GLC 2.61438
12 2D3N GLC GLC GLC GLC 2.61438
13 4JIE BMA 2.61438
14 1T7Q 152 3.26797
15 1T7Q COA 3.26797
16 5MU6 KFK 3.26797
17 5MU6 MYA 3.26797
18 3PTQ NFG 3.26797
19 4NV7 COA 3.26797
20 2O9R TCB 3.26797
21 1LNM DTX 3.92157
22 5OES 3GC 3.92157
23 6DO3 PRO PRO PRO MET ALA GLY GLY 3.92157
24 5LUN ARG 4.57516
25 5LUN OGA 4.57516
26 3F5K CE5 4.57516
27 2PD4 DCN 4.57516
28 3AGC RCC 4.57516
29 1JS3 PLP 142 4.57516
30 4WVO 3UZ 4.57516
31 4BG4 ADP 4.57516
32 2YNE NHW 5.22876
33 2YNE YNE 5.22876
34 1V7C HEY 5.22876
35 3L0E G58 5.22876
36 4DK7 0KS 5.22876
37 5KOD AMP 5.22876
38 4QCK ASD 5.22876
39 3MKN DNB 5.22876
40 3JQ3 ADP 5.22876
41 3DLG GWE 5.88235
42 5AE2 FYC 5.88235
43 5AE2 FAD 5.88235
44 5YBN AKG 5.88235
45 1V35 NAI 5.88235
46 2Q1W NAD 5.88235
47 1EWJ BLM 6.34921
48 4Z87 5GP 6.53595
49 5TZO 7V7 6.53595
50 1JJE BYS 7.18954
51 2FTB OLA 7.2
52 5KD6 6C7 7.84314
53 2E9L PLM 8.49673
54 2E9L OLA 8.49673
55 1N0U SO1 9.80392
56 4JD3 COA 9.80392
57 4QDF 30Q 9.80392
58 4JD3 PLM 9.80392
59 5OKG XYT 10.4575
60 5OKG BG6 10.4575
61 6H39 FGY 10.4575
62 4ANP 3QI 10.4575
63 5ANU 58T 11.1111
64 2CET PGI 11.1111
65 5HZ5 65X 11.9403
66 1QY1 PRZ 13.0719
67 2ART LPA AMP 20.2614
68 5GNX BGC 21.5686
69 5YIF 8VR 24.183
Pocket No.: 4; Query (leader) PDB : 4MPO; Ligand: AMP; Similar sites found with APoc: 24
This union binding pocket(no: 4) in the query (biounit: 4mpo.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 2FT0 ACO None
2 4HBM 0Y7 None
3 5BJX NAD 1.30719
4 5ZM4 9FU 1.30719
5 1RDS GPC 1.90476
6 4ER2 IVA VAL VAL STA ALA STA 3.26797
7 2RDT 2RD 3.26797
8 4M52 M52 3.26797
9 2RG0 CTT 3.92157
10 1DJN FMN 3.92157
11 4D42 W0I 3.92157
12 4D42 NAP 3.92157
13 1WP4 NDP 4.57516
14 2CVZ NDP 4.57516
15 4AVB CMP 5.22876
16 3JZ4 NAP 5.22876
17 5IXK 6EW 6.53595
18 5YGF ASP GLN GLY ARG GLY ARG ARG ARG PRO 7.18954
19 1K2V DEF 7.18954
20 4OE4 NAD 7.84314
21 4L77 CNL 18.3007
22 1QSM ACO 19.0789
23 1O98 2PG 19.6078
24 5K2M ADP 22.6415
Pocket No.: 5; Query (leader) PDB : 4MPO; Ligand: AMP; Similar sites found with APoc: 28
This union binding pocket(no: 5) in the query (biounit: 4mpo.bio7) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 5OCS FMN None
2 3EM0 CHD 2.89855
3 5AZ1 NDP 3.26797
4 1T26 GBD 3.26797
5 1T26 NAI 3.26797
6 5AG3 3EB 3.92157
7 2YIC TPP 4.57516
8 1H2K OGA 4.57516
9 4WPF 3SN 4.57516
10 5JWP AKG 4.57516
11 3P3N AKG 4.57516
12 2XUM OGA 4.57516
13 2Q8M AMP 4.57516
14 2RKV ZBA 5.22876
15 4R6W PC 5.22876
16 5FFF 5XC 5.88235
17 1TKB N1T 6.53595
18 5XKR BZE 7.18954
19 4ZA8 4LU 7.84314
20 4ZA8 FZZ 7.84314
21 4ZA8 F5C 7.84314
22 4BQH 9VU 7.84314
23 4XP7 FNR 8.49673
24 5DQ8 FLF 8.49673
25 5IVE 6E8 9.15033
26 5VAD PRO 9.15033
27 1H2M OGA 11.5385
28 4AQL TXC 35.2941
Pocket No.: 6; Query (leader) PDB : 4MPO; Ligand: AMP; Similar sites found with APoc: 9
This union binding pocket(no: 6) in the query (biounit: 4mpo.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 6EQS BV8 3.26797
2 3N2S FMN 3.92157
3 2TPL HPP 4.57516
4 3KFF XBT 5.22876
5 3KFF ZBT 5.22876
6 4M44 SIA GAL NAG GAL 5.22876
7 1GT4 UNA 9.15033
8 2IV2 MGD 17.6471
9 6EBQ FMN 25.625
Pocket No.: 7; Query (leader) PDB : 4MPO; Ligand: AMP; Similar sites found with APoc: 27
This union binding pocket(no: 7) in the query (biounit: 4mpo.bio8) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1GU3 BGC BGC BGC BGC BGC None
2 4OKE AMP 1.30719
3 3RWP ABQ 2.61438
4 5FP4 YC8 2.61438
5 4WUP 3UF 3.26797
6 3RX5 CBI 3.26797
7 3RX5 G2I 3.26797
8 1IID NHM 3.92157
9 2C94 TSF 3.92157
10 5F3I 5UJ 3.92157
11 2ZPA ACO 3.92157
12 4FFG 0U8 3.92157
13 3CGD COA 4.57516
14 2YP9 SIA CMO 4.57516
15 2GTE VA 4.83871
16 6AOV SIA GAL NAG GAL NAG 5.22876
17 5KTI TRE 6X6 5.36913
18 4BCN T9N 5.88235
19 2HJ4 PNZ 7.18954
20 5GVL GI8 7.18954
21 5GVL PLG 7.18954
22 1TMM APC 7.18954
23 1TMM HHR 7.18954
24 5KD6 LBU 7.84314
25 4GID 0GH 9.15033
26 5IQT AKG 10.1587
27 2ZX7 ZX7 11.7647
Pocket No.: 8; Query (leader) PDB : 4MPO; Ligand: AMP; Similar sites found with APoc: 14
This union binding pocket(no: 8) in the query (biounit: 4mpo.bio6) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 6MB9 NMY 3.92157
2 3I4X DST 4.57516
3 2Y0I AKG 4.57516
4 1OX5 1PR 5.88235
5 4R5Z SIN 5.88235
6 3GNP SOG 5.88235
7 3UXL CFI 5.88235
8 4LYQ MAN BMA BMA 7.18954
9 3QRY DMJ 9.80392
10 3N39 FMN 9.80392
11 4J7H TLO 12.4183
12 4LOC BTN 15.6863
13 2P1O IHP 17.6471
14 2P1O NLA 17.6471
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