Receptor
PDB id Resolution Class Description Source Keywords
1P3D 1.7 Å EC: 6.3.2.8 CRYSTAL STRUCTURE OF UDP-N-ACETYLMURAMIC ACID:L-ALANINE LIGASE (MURC) IN COMPLEX WITH UMA AND ANP. HAEMOPHILUS INFLUENZAE ALPHA/BETA PROTEIN LIGASE
Ref.: CRYSTAL STRUCTURES OF ACTIVE FULLY ASSEMBLED SUBSTRATE- AND PRODUCT-BOUND COMPLEXES OF UDP-N-ACETYLMURAMIC ACID:L-ALANINE LIGASE (MURC) FROM HAEMOPHILUS INFLUENZAE. J.BACTERIOL. V. 185 4152 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ANP A:603;
B:1603;
Valid;
Valid;
none;
none;
submit data
506.196 C10 H17 N6 O12 P3 c1nc(...
MN A:604;
A:605;
B:1604;
B:1605;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
UMA A:602;
B:1602;
Valid;
Valid;
none;
none;
submit data
750.494 C23 H36 N4 O20 P2 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1P3D 1.7 Å EC: 6.3.2.8 CRYSTAL STRUCTURE OF UDP-N-ACETYLMURAMIC ACID:L-ALANINE LIGASE (MURC) IN COMPLEX WITH UMA AND ANP. HAEMOPHILUS INFLUENZAE ALPHA/BETA PROTEIN LIGASE
Ref.: CRYSTAL STRUCTURES OF ACTIVE FULLY ASSEMBLED SUBSTRATE- AND PRODUCT-BOUND COMPLEXES OF UDP-N-ACETYLMURAMIC ACID:L-ALANINE LIGASE (MURC) FROM HAEMOPHILUS INFLUENZAE. J.BACTERIOL. V. 185 4152 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1P3D - UMA C23 H36 N4 O20 P2 C[C@@H](C(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1P3D - UMA C23 H36 N4 O20 P2 C[C@@H](C(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1P3D - UMA C23 H36 N4 O20 P2 C[C@@H](C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ANP; Similar ligands found: 358
No: Ligand ECFP6 Tc MDL keys Tc
1 ANP 1 1
2 A2D 0.810811 0.945205
3 B4P 0.802632 0.945205
4 ADP 0.802632 0.972222
5 AP5 0.802632 0.945205
6 BA3 0.789474 0.945205
7 AU1 0.782051 1
8 ATP 0.772152 0.972222
9 AN2 0.769231 0.986111
10 AQP 0.7625 0.972222
11 5FA 0.7625 0.972222
12 M33 0.759494 0.932432
13 MAP 0.752941 0.972973
14 ACP 0.75 0.945946
15 APR 0.740741 0.945205
16 AR6 0.740741 0.945205
17 ACQ 0.73494 0.945946
18 AD9 0.731707 0.945946
19 SAP 0.731707 0.921053
20 AGS 0.731707 0.921053
21 AMP 0.723684 0.944444
22 A 0.723684 0.944444
23 ATF 0.717647 0.933333
24 ADX 0.716049 0.851852
25 CA0 0.716049 0.92
26 50T 0.707317 0.932432
27 PRX 0.698795 0.87013
28 ABM 0.696203 0.893333
29 AMP MG 0.683544 0.868421
30 AP2 0.679012 0.933333
31 A12 0.679012 0.933333
32 APC 0.678571 0.933333
33 TAT 0.674419 0.933333
34 A22 0.674157 0.958904
35 SRA 0.670886 0.894737
36 SRP 0.670455 0.883117
37 5AL 0.666667 0.906667
38 ADQ 0.659341 0.92
39 A1R 0.659341 0.884615
40 ADP MG 0.654762 0.881579
41 3OD 0.648936 0.92
42 BIS 0.648936 0.909091
43 5SV 0.648352 0.82716
44 BEF ADP 0.647059 0.858974
45 ADP BEF 0.647059 0.858974
46 OAD 0.645161 0.92
47 25L 0.642105 0.958904
48 AMO 0.641304 0.907895
49 G5P 0.636364 0.897436
50 DLL 0.634409 0.906667
51 AHX 0.634409 0.897436
52 00A 0.634409 0.860759
53 ANP MG 0.633333 0.921053
54 ADV 0.632184 0.907895
55 ADP PO3 0.632184 0.917808
56 RBY 0.632184 0.907895
57 NB8 0.631579 0.897436
58 25A 0.630435 0.945205
59 8QN 0.630435 0.906667
60 OOB 0.630435 0.906667
61 G3A 0.626263 0.897436
62 ATP MG 0.625 0.881579
63 4AD 0.623656 0.896104
64 PAJ 0.623656 0.8625
65 LAD 0.621053 0.839506
66 1ZZ 0.614583 0.819277
67 TXA 0.614583 0.907895
68 ME8 0.614583 0.819277
69 GTA 0.613861 0.864198
70 3UK 0.610526 0.894737
71 SON 0.604651 0.907895
72 ADP ALF 0.604396 0.848101
73 ALF ADP 0.604396 0.848101
74 WAQ 0.604167 0.860759
75 PR8 0.604167 0.829268
76 4UV 0.6 0.871795
77 GAP 0.6 0.87013
78 FYA 0.597938 0.881579
79 PTJ 0.597938 0.873418
80 ADP VO4 0.597826 0.906667
81 VO4 ADP 0.597826 0.906667
82 UP5 0.596154 0.896104
83 YAP 0.59596 0.871795
84 FA5 0.59596 0.883117
85 PAP 0.595506 0.958333
86 A4P 0.59434 0.823529
87 XAH 0.59 0.841463
88 4UU 0.588235 0.871795
89 AFH 0.588235 0.8625
90 9SN 0.585859 0.85
91 2A5 0.58427 0.894737
92 T5A 0.583333 0.821429
93 NAI 0.580952 0.884615
94 ITT 0.579545 0.917808
95 ATR 0.577778 0.944444
96 OMR 0.575472 0.831325
97 5AS 0.574713 0.781609
98 YLP 0.571429 0.8
99 48N 0.571429 0.873418
100 AP0 0.570093 0.873418
101 4TC 0.570093 0.873418
102 7D3 0.569767 0.881579
103 ADJ 0.568807 0.831325
104 GNP 0.568421 0.922078
105 DAL AMP 0.568421 0.881579
106 NXX 0.566038 0.907895
107 TXD 0.566038 0.884615
108 NAX 0.566038 0.851852
109 4UW 0.566038 0.839506
110 6V0 0.566038 0.873418
111 DND 0.566038 0.907895
112 XYA 0.565789 0.821918
113 ADN 0.565789 0.821918
114 RAB 0.565789 0.821918
115 AOC 0.564706 0.8
116 7D4 0.561798 0.881579
117 ADP BMA 0.561224 0.894737
118 TXE 0.560748 0.884615
119 TYM 0.560748 0.883117
120 YLB 0.555556 0.8
121 YLC 0.555556 0.819277
122 139 0.554545 0.851852
123 5N5 0.551282 0.797297
124 JB6 0.55 0.860759
125 LAQ 0.54717 0.819277
126 MYR AMP 0.544554 0.797619
127 A4D 0.544304 0.797297
128 5CD 0.544304 0.783784
129 7MD 0.542857 0.864198
130 6AD 0.542553 0.886076
131 A2R 0.541667 0.958904
132 UPA 0.541284 0.884615
133 YLA 0.540541 0.8
134 A A 0.54 0.918919
135 COD 0.539823 0.793103
136 BTX 0.539823 0.821429
137 G5A 0.537634 0.781609
138 CNA 0.535714 0.907895
139 AYB 0.535714 0.790698
140 3DH 0.535714 0.753247
141 BT5 0.535088 0.811765
142 ATP A A A 0.533981 0.905405
143 IOT 0.531532 0.811765
144 MTA 0.53012 0.753247
145 3AM 0.529412 0.90411
146 A3P 0.52809 0.944444
147 NAD 0.526316 0.906667
148 PPS 0.526316 0.851852
149 EP4 0.52439 0.734177
150 7D5 0.52381 0.855263
151 AMP DBH 0.52381 0.87013
152 J7C 0.522727 0.75
153 A5A 0.520833 0.809524
154 EAD 0.520661 0.851852
155 TSB 0.520408 0.821429
156 AHZ 0.518519 0.797619
157 M2T 0.518072 0.716049
158 DTA 0.518072 0.766234
159 A3D 0.517241 0.894737
160 6RE 0.517241 0.740741
161 YLY 0.516949 0.790698
162 SSA 0.515464 0.802326
163 NA7 0.514852 0.933333
164 TYR AMP 0.514286 0.858974
165 AR6 AR6 0.514019 0.893333
166 7MC 0.513514 0.843373
167 A2P 0.511111 0.930556
168 52H 0.510204 0.781609
169 VMS 0.510204 0.790698
170 54H 0.510204 0.790698
171 TAD 0.509259 0.8625
172 NAQ 0.508333 0.85
173 A3N 0.505618 0.766234
174 AV2 0.505155 0.893333
175 5CA 0.50505 0.802326
176 53H 0.50505 0.781609
177 ARU 0.504951 0.839506
178 ARG AMP 0.504587 0.809524
179 ZID 0.504132 0.894737
180 P1H 0.504 0.831325
181 3AT 0.5 0.945205
182 NAE 0.5 0.871795
183 AVV 0.5 0.873418
184 P5A 0.495146 0.747253
185 DSZ 0.49505 0.802326
186 LSS 0.49505 0.764045
187 NSS 0.49505 0.802326
188 N0B 0.491803 0.8
189 AF3 ADP 3PG 0.491071 0.817073
190 LA8 ALF 3PG 0.491071 0.817073
191 ALF ADP 3PG 0.491071 0.817073
192 NVA LMS 0.490196 0.764045
193 DAT 0.489362 0.881579
194 IMO 0.488889 0.90411
195 ZAS 0.488636 0.792208
196 FDA 0.488372 0.813953
197 NAJ PZO 0.487395 0.85
198 4TA 0.487179 0.788235
199 LPA AMP 0.486486 0.797619
200 LEU LMS 0.485437 0.764045
201 DTP 0.484536 0.881579
202 V3L 0.484536 0.945205
203 GJV 0.483516 0.731707
204 S4M 0.483516 0.651685
205 DZD 0.483051 0.8625
206 2AM 0.482759 0.917808
207 5AD 0.481013 0.726027
208 KAA 0.480769 0.755556
209 GSU 0.480769 0.781609
210 NDE 0.480315 0.907895
211 M24 0.479339 0.851852
212 MAO 0.478261 0.761905
213 DSH 0.477778 0.707317
214 NEC 0.477778 0.727273
215 FAD 0.477273 0.831325
216 FAS 0.477273 0.831325
217 RGT 0.476636 0.933333
218 0WD 0.474576 0.897436
219 G A A A 0.474576 0.85
220 FNK 0.474074 0.786517
221 5X8 0.473684 0.74359
222 6FA 0.473282 0.821429
223 FB0 0.472868 0.786517
224 NDC 0.472868 0.85
225 YSA 0.472222 0.781609
226 7DD 0.468085 0.958333
227 OVE 0.466667 0.881579
228 NAD IBO 0.466102 0.848101
229 MHZ 0.463158 0.701149
230 A3G 0.461538 0.779221
231 6C6 0.459184 0.858974
232 U A G G 0.458333 0.860759
233 SFG 0.458333 0.730769
234 7D7 0.45679 0.723684
235 128 0.45614 0.8
236 SFD 0.455224 0.736842
237 DDS 0.454545 0.855263
238 GDP 0.454545 0.896104
239 6IA 0.454545 0.817073
240 NJP 0.453782 0.921053
241 ODP 0.453782 0.886076
242 7DT 0.453608 0.958333
243 A7D 0.452632 0.75641
244 Z5A 0.452381 0.802326
245 WSA 0.452174 0.790698
246 7C5 0.45045 0.797468
247 FAY 0.449275 0.841463
248 NDP 0.449153 0.897436
249 A5D 0.44898 0.766234
250 SA8 0.44898 0.690476
251 NAJ PYZ 0.448 0.851852
252 71V 0.446809 0.884615
253 GGZ 0.446602 0.804878
254 RFL 0.446043 0.802326
255 2SA 0.445545 0.907895
256 AMP NAD 0.444444 0.858974
257 GP3 0.444444 0.897436
258 SAI 0.444444 0.716049
259 SAH 0.444444 0.725
260 A A A 0.443396 0.881579
261 PO4 PO4 A A A A PO4 0.443396 0.878378
262 4YB 0.442478 0.764045
263 GTP 0.441176 0.896104
264 SMM 0.441176 0.670455
265 S7M 0.441176 0.674419
266 Y3J 0.440476 0.706667
267 SAM 0.44 0.674419
268 649 0.439655 0.747253
269 12D 0.438596 0.809524
270 A3S 0.4375 0.789474
271 NPW 0.436975 0.864198
272 GCP 0.436893 0.873418
273 AAT 0.435644 0.690476
274 EEM 0.435644 0.674419
275 GNH 0.435644 0.909091
276 DCA 0.435484 0.804598
277 ETB 0.435484 0.813953
278 N6P 0.433962 0.890411
279 TXP 0.433333 0.897436
280 NZQ 0.433333 0.886076
281 PGS 0.43299 0.860759
282 APU 0.432203 0.871795
283 PUA 0.432 0.8625
284 62F 0.431655 0.841463
285 F2N 0.431507 0.795455
286 DA 0.430108 0.855263
287 D5M 0.430108 0.855263
288 J7V 0.429688 0.813953
289 NIA 0.428571 0.848101
290 6K6 0.428571 0.905405
291 A3T 0.428571 0.8
292 0T1 0.428571 0.804598
293 COA 0.428571 0.804598
294 P5F 0.427586 0.804598
295 AAM 0.425532 0.944444
296 0UM 0.424528 0.682353
297 G1R 0.423077 0.884615
298 AMZ 0.422222 0.891892
299 C2R 0.422222 0.88
300 A U 0.420168 0.848101
301 IDP 0.42 0.894737
302 GSP 0.419048 0.851852
303 COS 0.418605 0.786517
304 CAO 0.418605 0.777778
305 AMX 0.418605 0.813953
306 30N 0.418605 0.736842
307 DG1 0.418605 0.897436
308 1DG 0.418605 0.897436
309 TM1 0.418182 0.797619
310 A6D 0.416667 0.746988
311 K15 0.416667 0.666667
312 V1N 0.415929 0.893333
313 SCO 0.415385 0.804598
314 CMX 0.415385 0.804598
315 GEK 0.415094 0.719512
316 NHD 0.414634 0.881579
317 XNP 0.414634 0.851852
318 AIR 0.413793 0.876712
319 COK 0.413534 0.786517
320 G2R 0.412844 0.8625
321 FCX 0.412214 0.777778
322 FAM 0.412214 0.786517
323 ACO 0.412214 0.777778
324 NAP 0.410853 0.92
325 CNV FAD 0.409722 0.775281
326 FA9 0.409396 0.843373
327 SXZ 0.409091 0.694118
328 HAX 0.409091 0.806818
329 PLP AAD 0.408 0.744444
330 TAP 0.407692 0.884615
331 2MC 0.407407 0.752688
332 62X 0.407407 0.651685
333 GKE 0.40708 0.8625
334 GDD 0.40708 0.8625
335 GDC 0.40708 0.8625
336 FYN 0.406015 0.804598
337 3KK 0.406015 0.786517
338 U G A 0.405797 0.819277
339 NA0 0.40458 0.907895
340 101 0.404255 0.855263
341 G 0.40404 0.883117
342 5GP 0.40404 0.883117
343 MGP 0.403846 0.8625
344 MCD 0.402985 0.786517
345 OXK 0.402985 0.786517
346 CA6 0.402985 0.714286
347 SOP 0.402985 0.786517
348 3AD 0.402299 0.783784
349 S8M 0.401869 0.78481
350 YE1 0.40146 0.795455
351 1VU 0.4 0.777778
352 2VA 0.4 0.779221
353 CMC 0.4 0.786517
354 7RP 0.4 0.902778
355 GMV 0.4 0.873418
356 6G0 0.4 0.8625
357 CO6 0.4 0.786517
358 NMX 0.4 0.782609
Ligand no: 2; Ligand: UMA; Similar ligands found: 61
No: Ligand ECFP6 Tc MDL keys Tc
1 UMA 1 1
2 EPZ 0.861111 1
3 UAG 0.822581 0.945205
4 EEB 0.803571 0.985714
5 UML 0.75 0.884615
6 EPU 0.697479 0.957747
7 UD2 0.690265 0.985507
8 UD1 0.690265 0.985507
9 HP7 0.635593 0.971014
10 MJZ 0.630252 0.943662
11 U21 0.62406 0.884615
12 U20 0.62406 0.884615
13 UD7 0.621849 0.985507
14 UD4 0.598361 0.971429
15 GDU 0.598214 0.971014
16 UPG 0.598214 0.971014
17 UFM 0.598214 0.971014
18 GUD 0.598214 0.971014
19 UDZ 0.592 0.881579
20 UAG API 0.578947 0.894737
21 U22 0.576642 0.8625
22 U2F 0.568965 0.917808
23 UPF 0.568965 0.917808
24 UGB 0.559322 0.956522
25 UGA 0.559322 0.956522
26 UDX 0.555556 0.942857
27 UFG 0.555556 0.917808
28 UAD 0.555556 0.942857
29 UDM 0.54918 0.943662
30 HWU 0.547619 0.930556
31 12V 0.547619 0.930556
32 USQ 0.546219 0.825
33 UMA FGA LYS DAL DAL 0.54321 0.871795
34 G3N 0.528926 0.916667
35 UDP 0.513761 0.914286
36 UTP 0.513514 0.914286
37 UD0 0.513333 0.871795
38 660 0.504202 0.929577
39 URM 0.504202 0.929577
40 4RA 0.5 0.883117
41 IUG 0.492424 0.814815
42 UPU 0.491379 0.942029
43 3UC 0.488 0.917808
44 UNP 0.486957 0.888889
45 UPP 0.483333 0.915493
46 UDH 0.471074 0.844156
47 2QR 0.463087 0.85
48 U5P 0.458716 0.9
49 UDP GAL 0.456 0.942857
50 2KH 0.444444 0.888889
51 C5G 0.440945 0.917808
52 44P 0.433628 0.876712
53 Y6W 0.428571 0.891892
54 2GW 0.425373 0.930556
55 UDP UDP 0.422414 0.885714
56 491 0.419643 0.728571
57 PMP UD1 0.405063 0.846154
58 1GW 0.404255 0.893333
59 UP5 0.401408 0.833333
60 CSV 0.4 0.855263
61 CSQ 0.4 0.855263
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1P3D; Ligand: ANP; Similar sites found: 84
This union binding pocket(no: 1) in the query (biounit: 1p3d.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GXU 2HP 0.04186 0.4048 None
2 3CV2 OXL 0.008186 0.42852 1.47368
3 2NCD ADP 0.0007425 0.48397 1.66667
4 4PPF FLC 0.006575 0.45164 1.68421
5 5FTB ANP 0.009174 0.40746 1.84758
6 1JBW ACQ 0.00000001182 0.67035 2.1028
7 1JBW TMF 0.0000008372 0.59192 2.1028
8 4XFR CIT 0.02328 0.40427 2.10773
9 5LB3 ADP 0.02136 0.40155 2.24719
10 1SQ5 ADP 0.0004219 0.47468 2.27273
11 1NN5 ANP 0.01122 0.40337 2.32558
12 1C1X HFA 0.01471 0.40162 2.53521
13 1W78 PD8 0.00000004119 0.65832 2.60664
14 1W78 ADP 0.00000001846 0.64096 2.60664
15 1K97 CIR 0.01948 0.40032 2.63736
16 1K97 ASP 0.01948 0.40032 2.63736
17 1P7T PYR 0.013 0.40914 2.73684
18 3QV9 QV7 0.02758 0.4034 2.73684
19 3U6B GDP 0.009908 0.41826 2.79188
20 5JBQ GDP 0.0169 0.40258 2.79188
21 4G5G GDP 0.01902 0.40007 2.79188
22 2OBM ADP 0.01948 0.41547 2.88184
23 2AWN ADP 0.005086 0.45398 2.88714
24 1JI0 ATP 0.02535 0.40194 2.94737
25 2B3B BGC 0.0223 0.40062 3
26 2B3B GLC 0.0229 0.40003 3
27 3B9Z CO2 0.01707 0.41807 3.15789
28 5HVJ ANP 0.02558 0.40176 3.1746
29 1G3Q ADP 0.004452 0.42626 3.37553
30 1SVK ALF GDP 0.004192 0.42101 3.39943
31 3B9Q MLI 0.00344 0.46594 3.57895
32 5G41 AP5 0.003604 0.4399 3.58744
33 1Y3A GDP 0.002887 0.41871 3.64742
34 3TMK T5A 0.01469 0.40169 3.7037
35 1YRB GDP 0.006245 0.41133 3.81679
36 2W58 ADP 0.01152 0.43009 3.9604
37 4K81 GTP 0.009732 0.40213 4.09357
38 1S3G AP5 0.01142 0.41195 4.14747
39 4L80 OXL 0.01723 0.40748 4.31034
40 2QG6 NMN 0.006617 0.40947 4.52261
41 4MKG AP5 0.01759 0.40334 4.60829
42 5H56 ADP 0.005051 0.41743 4.61538
43 5H56 TYD 0.005051 0.41743 4.61538
44 5TB5 GDP 0.008449 0.40912 4.66667
45 1ZCB GDP 0.007428 0.40431 4.69613
46 5TAR GDP 0.01064 0.40085 4.72973
47 4WZ6 ATP 0.02129 0.40939 4.82759
48 2VOS ADP 0.0000000001162 0.70962 4.92813
49 3FB4 AP5 0.008109 0.41876 5.09259
50 3NHB ADP 0.02283 0.40793 5.26316
51 3HYW DCQ 0.02266 0.40917 5.34884
52 5U5G 7VD 0.0166 0.41142 5.42373
53 4HI0 GDP 0.004478 0.40696 5.52764
54 5E5U MLI 0.004415 0.44043 5.68182
55 4NZ6 DGL 0.02839 0.40148 5.7508
56 1GOJ ADP 0.01166 0.4286 5.89474
57 3KO0 TFP 0.004349 0.45066 5.94059
58 1SKQ GDP 0.009702 0.41872 5.97701
59 1JJ7 ADP 0.006977 0.4434 6.15385
60 5L3S G 0.03036 0.40218 6.31579
61 5M04 GDP 0.0206 0.40235 6.38889
62 1G6H ADP 0.008027 0.44056 6.52632
63 2OFW ADX 0.01431 0.40647 6.73684
64 2PEZ DAT 0.01157 0.40402 6.73684
65 4BQS ADP 0.01568 0.4127 7.95455
66 4LNP VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.02001 0.40299 8.19672
67 1GOT GDP 0.006214 0.40272 8.21918
68 5GJC ATP 0.0147 0.40555 8.37104
69 4HSE ADP 0.007347 0.41595 8.63158
70 1G7S GDP 0.0143 0.40221 8.63158
71 3BFV ADP 0.009796 0.41413 8.85609
72 3LRE ADP 0.01277 0.42677 9.57747
73 3PQC GDP 0.02384 0.40332 10.7692
74 4J0Q GDP 0.009905 0.41827 11.0855
75 2J5V PCA 0.002675 0.48055 11.7166
76 4CVN ADP 0.007678 0.42861 12.5654
77 2RGX AP5 0.01116 0.41436 13.1068
78 2CBZ ATP 0.005614 0.44768 14.7679
79 4C12 ADP 0.0000000001475 0.79588 20.2105
80 4QDI ATP 0.00000003367 0.56732 23.0932
81 2VTD LKM 0.00000006061 0.4055 28.3146
82 3WY9 GDP 0.006464 0.42751 31.25
83 3ZL8 ADP 0.00000001484 0.63869 32.6316
84 2VOH CIT 0.01882 0.40481 34.6154
Pocket No.: 2; Query (leader) PDB : 1P3D; Ligand: UMA; Similar sites found: 132
This union binding pocket(no: 2) in the query (biounit: 1p3d.bio2) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UP7 NAD 0.001534 0.41315 1.19904
2 4DSG FAD 0.005717 0.42642 1.26316
3 4DSG UDP 0.00965 0.41519 1.26316
4 1PL6 572 0.001438 0.42546 1.40449
5 1PL6 NAD 0.00102 0.40479 1.40449
6 2WET FAD 0.003312 0.42109 1.47368
7 2BH9 NAP 0.008802 0.41411 1.47368
8 1V59 FAD 0.01019 0.40441 1.47368
9 1RSG FAD 0.009766 0.40254 1.47368
10 1DLL LAT 0.03763 0.40254 1.5873
11 3LAD FAD 0.006623 0.40956 1.68421
12 4D04 NAP 0.01586 0.40706 1.68421
13 2RGO FAD 0.00637 0.40528 1.68421
14 3GMB FAD 0.006769 0.4009 1.68675
15 5LD5 NAD 0.004044 0.40921 1.95531
16 4OPC FDA 0.01763 0.41931 1.98676
17 1DSS NAD 0.002303 0.40668 2.1021
18 2B9W FAD 0.01078 0.41036 2.12264
19 1D1T NAD 0.005884 0.40097 2.14477
20 1MO9 KPC 0.009888 0.42466 2.31579
21 1MO9 FAD 0.02197 0.40853 2.31579
22 3AYI FAD 0.01102 0.40776 2.31579
23 3AYI HCI 0.01146 0.40776 2.31579
24 4ZGS NAD 0.00264 0.40014 2.33161
25 1F8G NAD 0.0007844 0.44222 2.34375
26 2XVF FAD 0.00677 0.4042 2.37069
27 1J5P NAD 0.003057 0.40089 2.37154
28 2VDV SAM 0.01878 0.40208 2.43902
29 5BUK FAD 0.009535 0.40476 2.44444
30 3E1T FAD 0.001899 0.4331 2.52632
31 1XHC FAD 0.008029 0.40011 2.52632
32 1BW9 NAD 0.000822 0.44137 2.52809
33 1BXG NAD 0.001223 0.42096 2.52809
34 1C1X NAD 0.001133 0.42226 2.53521
35 5JE8 NAD 0.002748 0.4101 2.64901
36 1R6D NAD 0.0128 0.4057 2.67062
37 1R6D DAU 0.01249 0.40542 2.67062
38 1ZEM NAD 0.001211 0.42113 2.67176
39 1D4D FAD 0.009247 0.40443 2.73684
40 3T31 FAD 0.01109 0.40911 2.746
41 3T31 DCQ 0.01196 0.40911 2.746
42 1U1I NAD 0.002641 0.4174 2.80612
43 1A5Z NAD 0.003345 0.41575 2.82132
44 1L7E NAI 0.0008209 0.41946 2.86458
45 2B4R AES 0.004901 0.40159 2.89855
46 2VHW NAI 0.006455 0.40397 2.91777
47 4EIP K2C 0.004365 0.42077 2.94737
48 4C3Y FAD 0.005259 0.41277 2.94737
49 4C3Y ANB 0.008706 0.40814 2.94737
50 4EIP FAD 0.009526 0.40478 2.94737
51 2WPF FAD 0.03683 0.40327 2.94737
52 2WPF WPF 0.04483 0.40092 2.94737
53 2AE2 NAP 0.008129 0.40397 3.07692
54 4AP3 NAP 0.007303 0.42045 3.09654
55 5T67 JHZ 0.00754 0.40991 3.125
56 2AQJ FAD 0.003495 0.43362 3.15789
57 2AQJ TRP 0.005163 0.42558 3.15789
58 1H82 GZZ 0.01413 0.40862 3.15789
59 2DC1 NAD 0.00408 0.40199 3.15789
60 1H82 FAD 0.0175 0.40195 3.15789
61 4NTC FAD 0.009755 0.40164 3.28358
62 4KOA NDP 0.00709 0.41488 3.3033
63 4J4H 1J1 0.006308 0.41403 3.4749
64 4J4H NAI 0.006308 0.41403 3.4749
65 1RM4 NDP 0.004004 0.40231 3.56083
66 5UAO FAD 0.003574 0.41662 3.57895
67 3NDJ JHZ 0.008788 0.40797 3.57895
68 3NDJ SAH 0.008788 0.40797 3.57895
69 1LTH NAD 0.001747 0.4079 3.57895
70 2IYF UDP 0.01268 0.42221 3.61446
71 1X7D ORN 0.004473 0.41156 3.71429
72 1X7D NAD 0.004365 0.40223 3.71429
73 5HWK BEZ 0.01585 0.42398 3.75
74 3OA2 NAD 0.0009036 0.41545 3.77358
75 3V1Y NAD 0.00409 0.40049 3.85757
76 4GKV NAD 0.002621 0.41753 3.86905
77 5FJN BE2 0.01075 0.40344 3.94737
78 5FJN FAD 0.01002 0.40208 3.94737
79 2FZW NAD 0.008817 0.4053 4.02145
80 2GZ3 NAP 0.01421 0.40075 4.09836
81 3NJ4 NAD 0.0288 0.41515 4.13793
82 3NJ4 AFX 0.0293 0.4148 4.13793
83 1PVS 7HP 0.01126 0.42195 4.21053
84 3UCL FAD 0.01322 0.41176 4.21053
85 3UCL NAP 0.01451 0.41176 4.21053
86 3UCL CYH 0.01322 0.41176 4.21053
87 4YNU FAD 0.01167 0.40108 4.21053
88 5X62 SAH 0.015 0.4 4.21053
89 1V6A TRE 0.001262 0.48299 4.21687
90 1GAD NAD 0.001571 0.41672 4.24242
91 1KOL NAD 0.008015 0.40014 4.27136
92 2RAB NAD 0.01559 0.4092 4.31965
93 3H9E NAD 0.003973 0.40098 4.33526
94 4NTD FAD 0.00511 0.41026 4.41176
95 3CIF NAD 0.004055 0.4035 4.45682
96 3CIF G3H 0.006352 0.40085 4.45682
97 3DXY SAM 0.02205 0.40221 4.58716
98 2OOR NAD 0.0005235 0.41799 4.5977
99 3UOY NAP 0.02286 0.40186 4.84211
100 3EGI ADP 0.008175 0.43679 4.85437
101 1R37 NAD 0.003639 0.41179 4.89914
102 5HBN RPI 0.02701 0.40528 5.12821
103 5TDC NMM ILE PHE SER 0.01832 0.42211 5.26316
104 2C7G ODP 0.01463 0.40393 5.26316
105 2C7G FAD 0.01519 0.40393 5.26316
106 2E5V FAD 0.008355 0.40628 5.29661
107 1U7T TDT 0.01028 0.40069 5.36398
108 5M6N 7H9 0.03698 0.4021 5.9322
109 5O4J 9KH 0.003669 0.41164 6.20438
110 5O4J SAH 0.003669 0.41164 6.20438
111 5O4J PJL 0.004758 0.40589 6.20438
112 1P77 ATR 0.003123 0.45875 6.25
113 2NXE SAM 0.007087 0.41145 6.29921
114 2BRY FAD 0.003069 0.41355 6.31579
115 4RDH AMP 0.01119 0.40924 6.52632
116 1OMO NAD 0.002284 0.40252 7.14286
117 2Z3Y F2N 0.009262 0.40441 7.15789
118 3EGV SAH 0.006278 0.41729 7.48299
119 3P13 RIP 0.03059 0.40209 7.63889
120 4IF4 BEF 0.01278 0.41614 8.17308
121 1VKO NAD 0.0008717 0.40165 8.42105
122 3JUC PCA 0.01399 0.42606 8.49673
123 3QV1 NAD 0.003429 0.40627 8.53659
124 2HJR APR 0.004508 0.40727 8.63158
125 3CTY FAD 0.009894 0.40409 9.05263
126 3WLE NAD 0.003512 0.41473 9.67742
127 1UAY ADN 0.007006 0.42256 9.91736
128 1DMR PGD 0.02355 0.40186 10.3158
129 4XB2 HSE 0.005769 0.40132 10.4478
130 3G89 SAM 0.01692 0.40425 11.6466
131 1ZBQ NAD 0.003489 0.41006 12.8421
132 5E8J SAH 0.00546 0.42772 31.8182
Pocket No.: 3; Query (leader) PDB : 1P3D; Ligand: ANP; Similar sites found: 6
This union binding pocket(no: 3) in the query (biounit: 1p3d.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4XG0 CIT 0.02579 0.4 2.10773
2 3TDC 0EU 0.01141 0.44048 2.94737
3 3AI3 SOE 0.02517 0.40038 3.42205
4 4MO4 ACP 0.01848 0.40526 4.31267
5 1M7G ADP 0.01023 0.40568 6.52632
6 1TU3 GNP 0.01254 0.40034 7.59494
Pocket No.: 4; Query (leader) PDB : 1P3D; Ligand: UMA; Similar sites found: 50
This union binding pocket(no: 4) in the query (biounit: 1p3d.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2F5Z FAD 0.01232 0.40161 1.26582
2 2Y6Q I7T 0.01373 0.40214 1.50754
3 3SQP FAD 0.02843 0.42763 1.89474
4 4M52 FAD 0.0072 0.41061 2.14592
5 2CVZ NDP 0.003771 0.40463 2.42215
6 1WP4 NDP 0.002446 0.40069 2.42215
7 3QWI NAP 0.006971 0.40179 2.59259
8 3QWI CUE 0.01154 0.40102 2.59259
9 4EMI NAD 0.02376 0.4003 2.73684
10 2YY7 NAD 0.004173 0.4084 2.88462
11 2B4R NAD 0.005489 0.40357 2.89855
12 2HQM FAD 0.008265 0.40808 2.94737
13 3L4S 3PG 0.007697 0.40003 2.97619
14 3L4S NAD 0.007197 0.40003 2.97619
15 1JG3 ADN 0.01168 0.40032 2.97872
16 2D2I NAP 0.00339 0.40138 3.15789
17 4M73 M72 0.007768 0.40429 3.2641
18 4M73 SAH 0.007502 0.40386 3.2641
19 1KEW NAD 0.01782 0.40036 3.3241
20 4JK3 NAD 0.004018 0.40353 3.4749
21 1J0X NAD 0.007874 0.40989 3.91566
22 5JCM ISD 0.02554 0.40132 3.99113
23 5JCM NAD 0.02554 0.40132 3.99113
24 5JCM FAD 0.02478 0.40132 3.99113
25 1T26 NAI 0.009184 0.40614 4.03727
26 2BGM NAJ 0.004601 0.40119 4.31655
27 2WSB NAD 0.006949 0.40936 4.33071
28 2Z9V PXM 0.03707 0.40074 4.33673
29 1G0N PHH 0.008948 0.40569 4.42105
30 4BJZ P3A 0.02565 0.40405 4.42105
31 1G0N NDP 0.01022 0.40035 4.42105
32 4TM3 FAD 0.02558 0.403 4.51467
33 3FZG SAM 0.01312 0.4046 5
34 2XVE FAD 0.01587 0.40809 5.05263
35 1YKJ FAD 0.0186 0.40628 5.07614
36 3GGO ENO 0.008631 0.40635 5.09554
37 3GGO NAI 0.008631 0.40635 5.09554
38 2RC8 DSN 0.02135 0.41301 5.10204
39 1GR0 NAD 0.004996 0.4089 5.26316
40 3CMC NAD 0.02243 0.40444 5.38922
41 1GET NAP 0.0146 0.41398 5.77778
42 1GET FAD 0.01795 0.40879 5.77778
43 5KOD IAC 0.03298 0.40168 6.10526
44 2VYN NAD 0.004904 0.40291 6.88623
45 5ITV NAI 0.003991 0.40919 7.45098
46 1AE1 NAP 0.006067 0.40426 8.42491
47 1DLJ UGA 0.01091 0.40885 8.70647
48 1DLJ NAI 0.01172 0.40751 8.70647
49 1E6E FAD 0.009157 0.40027 10.1562
50 2GAG NAD 0.009001 0.40163 11.9048
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