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Receptor
PDB id Resolution Class Description Source Keywords
1P7L 2.5 Å EC: 2.5.1.6 S-ADENOSYLMETHIONINE SYNTHETASE COMPLEXED WITH AMPPNP AND ME ESCHERICHIA COLI S-ADENOSYLMETHIONINE SYNTHETASE AMPPNP SAM TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THE S-ADENOSYLMETHIONINE SYNTH TERNARY COMPLEX: A NOVEL CATALYTIC MECHANISM OF S-ADENOSYLMETHIONINE SYNTHESIS FROM ATP AND MET. BIOCHEMISTRY V. 43 1821 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ANP A:384;
B:484;
Valid;
Valid;
none;
none;
submit data
506.196 C10 H17 N6 O12 P3 c1nc(...
K A:386;
B:486;
C:686;
D:886;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
39.098 K [K+]
MET A:485;
B:385;
Valid;
Valid;
none;
none;
submit data
149.211 C5 H11 N O2 S CSCC[...
MG A:387;
A:388;
B:487;
B:488;
C:688;
C:887;
D:687;
D:888;
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;
submit data
24.305 Mg [Mg+2...
PPK C:684;
D:884;
Valid;
Valid;
none;
none;
submit data
256.97 H6 N O9 P3 N(P(=...
SAM C:685;
C:885;
Valid;
Valid;
none;
none;
submit data
398.437 C15 H22 N6 O5 S C[S@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1P7L 2.5 Å EC: 2.5.1.6 S-ADENOSYLMETHIONINE SYNTHETASE COMPLEXED WITH AMPPNP AND ME ESCHERICHIA COLI S-ADENOSYLMETHIONINE SYNTHETASE AMPPNP SAM TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THE S-ADENOSYLMETHIONINE SYNTH TERNARY COMPLEX: A NOVEL CATALYTIC MECHANISM OF S-ADENOSYLMETHIONINE SYNTHESIS FROM ATP AND MET. BIOCHEMISTRY V. 43 1821 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1P7L - MET C5 H11 N O2 S CSCC[C@@H]....
2 1RG9 - PPK H6 N O9 P3 N(P(=O)(O)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1P7L - MET C5 H11 N O2 S CSCC[C@@H]....
2 1RG9 - PPK H6 N O9 P3 N(P(=O)(O)....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1P7L - MET C5 H11 N O2 S CSCC[C@@H]....
2 1RG9 - PPK H6 N O9 P3 N(P(=O)(O)....
3 5A1G - PPK H6 N O9 P3 N(P(=O)(O)....
4 5A19 - PPK H6 N O9 P3 N(P(=O)(O)....
5 5A1I - SAM C15 H22 N6 O5 S C[S@@+](CC....
6 5UGH ic50 = 420 uM 8AJ C20 H19 Cl N4 CN(C)CCc1n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ANP; Similar ligands found: 373
No: Ligand ECFP6 Tc MDL keys Tc
1 ANP 1 1
2 A2D 0.810811 0.945205
3 B4P 0.802632 0.945205
4 AP5 0.802632 0.945205
5 ADP 0.802632 0.972222
6 BA3 0.789474 0.945205
7 AU1 0.782051 1
8 HEJ 0.772152 0.972222
9 ATP 0.772152 0.972222
10 AT4 0.769231 0.933333
11 AN2 0.769231 0.986111
12 5FA 0.7625 0.972222
13 AQP 0.7625 0.972222
14 M33 0.759494 0.932432
15 MAP 0.752941 0.972973
16 ACP 0.75 0.945946
17 AR6 0.740741 0.945205
18 APR 0.740741 0.945205
19 ACQ 0.73494 0.945946
20 AD9 0.731707 0.945946
21 SAP 0.731707 0.921053
22 AGS 0.731707 0.921053
23 A 0.723684 0.944444
24 AMP 0.723684 0.944444
25 ATF 0.717647 0.933333
26 ADX 0.716049 0.851852
27 CA0 0.716049 0.92
28 6YZ 0.709302 0.945946
29 50T 0.707317 0.932432
30 PRX 0.698795 0.87013
31 ABM 0.696203 0.893333
32 AP2 0.679012 0.933333
33 A12 0.679012 0.933333
34 APC 0.678571 0.933333
35 T99 0.674419 0.933333
36 TAT 0.674419 0.933333
37 A22 0.674157 0.958904
38 SRA 0.670886 0.894737
39 SRP 0.670455 0.883117
40 5AL 0.666667 0.906667
41 A1R 0.659341 0.884615
42 ADQ 0.659341 0.92
43 A3R 0.659341 0.884615
44 3OD 0.648936 0.92
45 BIS 0.648936 0.909091
46 5SV 0.648352 0.82716
47 9X8 0.645161 0.896104
48 OAD 0.645161 0.92
49 25L 0.642105 0.958904
50 AMO 0.641304 0.907895
51 G5P 0.636364 0.897436
52 DLL 0.634409 0.906667
53 AHX 0.634409 0.897436
54 00A 0.634409 0.860759
55 ADV 0.632184 0.907895
56 RBY 0.632184 0.907895
57 ADP PO3 0.632184 0.917808
58 NB8 0.631579 0.897436
59 25A 0.630435 0.945205
60 OOB 0.630435 0.906667
61 8QN 0.630435 0.906667
62 G3A 0.626263 0.897436
63 4AD 0.623656 0.896104
64 PAJ 0.623656 0.8625
65 LAD 0.621053 0.839506
66 TXA 0.614583 0.907895
67 1ZZ 0.614583 0.819277
68 ME8 0.614583 0.819277
69 GTA 0.613861 0.864198
70 9ZD 0.612903 0.909091
71 9ZA 0.612903 0.909091
72 3UK 0.610526 0.894737
73 SON 0.604651 0.907895
74 ADP ALF 0.604396 0.848101
75 ALF ADP 0.604396 0.848101
76 PR8 0.604167 0.829268
77 B5V 0.604167 0.883117
78 WAQ 0.604167 0.860759
79 4UV 0.6 0.871795
80 GAP 0.6 0.87013
81 PTJ 0.597938 0.873418
82 FYA 0.597938 0.881579
83 VO4 ADP 0.597826 0.906667
84 ADP VO4 0.597826 0.906667
85 LMS 0.597561 0.829268
86 UP5 0.596154 0.896104
87 FA5 0.59596 0.883117
88 YAP 0.59596 0.871795
89 PAP 0.595506 0.958333
90 A4P 0.59434 0.823529
91 XAH 0.59 0.841463
92 4UU 0.588235 0.871795
93 AFH 0.588235 0.8625
94 9SN 0.585859 0.85
95 2A5 0.58427 0.894737
96 T5A 0.583333 0.821429
97 DQV 0.582524 0.932432
98 NAI 0.580952 0.884615
99 B5M 0.58 0.871795
100 B5Y 0.58 0.871795
101 ITT 0.579545 0.917808
102 ATR 0.577778 0.944444
103 OMR 0.575472 0.831325
104 5AS 0.574713 0.781609
105 YLP 0.571429 0.8
106 48N 0.571429 0.873418
107 AP0 0.570093 0.873418
108 4TC 0.570093 0.873418
109 7D3 0.569767 0.881579
110 ADJ 0.568807 0.831325
111 GNP 0.568421 0.922078
112 9GM 0.568421 0.922078
113 DAL AMP 0.568421 0.881579
114 6V0 0.566038 0.873418
115 TXD 0.566038 0.884615
116 DND 0.566038 0.907895
117 NAX 0.566038 0.851852
118 4UW 0.566038 0.839506
119 NXX 0.566038 0.907895
120 XYA 0.565789 0.821918
121 RAB 0.565789 0.821918
122 ADN 0.565789 0.821918
123 AOC 0.564706 0.8
124 7D4 0.561798 0.881579
125 ADP BMA 0.561224 0.894737
126 TXE 0.560748 0.884615
127 TYM 0.560748 0.883117
128 GA7 0.557692 0.883117
129 YLC 0.555556 0.819277
130 YLB 0.555556 0.8
131 139 0.554545 0.851852
132 5N5 0.551282 0.797297
133 JB6 0.55 0.860759
134 LAQ 0.54717 0.819277
135 F2R 0.544643 0.843373
136 MYR AMP 0.544554 0.797619
137 5CD 0.544304 0.783784
138 A4D 0.544304 0.797297
139 80F 0.54386 0.821429
140 7MD 0.542857 0.864198
141 6AD 0.542553 0.886076
142 A2R 0.541667 0.958904
143 UPA 0.541284 0.884615
144 YLA 0.540541 0.8
145 A A 0.54 0.918919
146 BTX 0.539823 0.821429
147 COD 0.539823 0.793103
148 HFD 0.537634 0.921053
149 G5A 0.537634 0.781609
150 3DH 0.535714 0.753247
151 AYB 0.535714 0.790698
152 CNA 0.535714 0.907895
153 BT5 0.535088 0.811765
154 ATP A A A 0.533981 0.905405
155 IOT 0.531532 0.811765
156 MTA 0.53012 0.753247
157 3AM 0.529412 0.90411
158 A3P 0.52809 0.944444
159 PPS 0.526316 0.851852
160 NAD 0.526316 0.906667
161 EP4 0.52439 0.734177
162 7D5 0.52381 0.855263
163 AMP DBH 0.52381 0.87013
164 J7C 0.522727 0.75
165 A5A 0.520833 0.809524
166 EAD 0.520661 0.851852
167 TSB 0.520408 0.821429
168 AHZ 0.518519 0.797619
169 DTA 0.518072 0.766234
170 M2T 0.518072 0.716049
171 A3D 0.517241 0.894737
172 6RE 0.517241 0.740741
173 YLY 0.516949 0.790698
174 SSA 0.515464 0.802326
175 NA7 0.514852 0.933333
176 ARG AMP 0.514019 0.809524
177 AR6 AR6 0.514019 0.893333
178 7MC 0.513514 0.843373
179 A2P 0.511111 0.930556
180 52H 0.510204 0.781609
181 VMS 0.510204 0.790698
182 54H 0.510204 0.790698
183 TYR AMP 0.509434 0.848101
184 TAD 0.509259 0.8625
185 NAQ 0.508333 0.85
186 A3N 0.505618 0.766234
187 AV2 0.505155 0.893333
188 53H 0.50505 0.781609
189 5CA 0.50505 0.802326
190 8X1 0.50505 0.755556
191 ARU 0.504951 0.839506
192 ZID 0.504132 0.894737
193 P1H 0.504 0.831325
194 NAE 0.5 0.871795
195 3AT 0.5 0.945205
196 AVV 0.5 0.873418
197 P5A 0.495146 0.747253
198 NSS 0.49505 0.802326
199 LSS 0.49505 0.764045
200 DSZ 0.49505 0.802326
201 N0B 0.491803 0.8
202 AF3 ADP 3PG 0.491071 0.817073
203 NVA LMS 0.490196 0.755556
204 DAT 0.489362 0.881579
205 IMO 0.488889 0.90411
206 ZAS 0.488636 0.792208
207 FDA 0.488372 0.813953
208 NAJ PZO 0.487395 0.85
209 4TA 0.487179 0.788235
210 LPA AMP 0.486486 0.797619
211 LEU LMS 0.485437 0.755556
212 DTP 0.484536 0.881579
213 V3L 0.484536 0.945205
214 S4M 0.483516 0.651685
215 GJV 0.483516 0.731707
216 DZD 0.483051 0.8625
217 2AM 0.482759 0.917808
218 5AD 0.481013 0.726027
219 GSU 0.480769 0.781609
220 KAA 0.480769 0.755556
221 NDE 0.480315 0.907895
222 M24 0.479339 0.851852
223 MAO 0.478261 0.761905
224 NEC 0.477778 0.727273
225 DSH 0.477778 0.707317
226 FAS 0.477273 0.831325
227 FAD 0.477273 0.831325
228 RGT 0.476636 0.933333
229 9K8 0.47619 0.698925
230 G A A A 0.474576 0.85
231 0WD 0.474576 0.897436
232 FNK 0.474074 0.786517
233 5X8 0.473684 0.74359
234 6FA 0.473282 0.821429
235 NDC 0.472868 0.85
236 FB0 0.472868 0.786517
237 YSA 0.472222 0.781609
238 7DD 0.468085 0.958333
239 OVE 0.466667 0.881579
240 MHZ 0.463158 0.701149
241 8PZ 0.462963 0.802326
242 A G 0.462185 0.860759
243 AMP NAD 0.462185 0.881579
244 A3G 0.461538 0.779221
245 NAJ PYZ 0.459677 0.809524
246 6C6 0.459184 0.858974
247 SFG 0.458333 0.730769
248 U A G G 0.458333 0.860759
249 7D7 0.45679 0.723684
250 128 0.45614 0.8
251 SFD 0.455224 0.736842
252 6IA 0.454545 0.817073
253 DDS 0.454545 0.855263
254 GDP 0.454545 0.896104
255 ODP 0.453782 0.886076
256 NJP 0.453782 0.921053
257 7DT 0.453608 0.958333
258 A7D 0.452632 0.75641
259 Z5A 0.452381 0.802326
260 WSA 0.452174 0.790698
261 U A 0.45082 0.884615
262 7C5 0.45045 0.797468
263 FAY 0.449275 0.841463
264 NDP 0.449153 0.897436
265 SA8 0.44898 0.690476
266 A5D 0.44898 0.766234
267 71V 0.446809 0.884615
268 GGZ 0.446602 0.804878
269 RFL 0.446043 0.802326
270 2SA 0.445545 0.907895
271 SAI 0.444444 0.716049
272 GP3 0.444444 0.897436
273 SAH 0.444444 0.725
274 PO4 PO4 A A A A PO4 0.443396 0.878378
275 A A A 0.443396 0.881579
276 4YB 0.442478 0.764045
277 SMM 0.441176 0.670455
278 S7M 0.441176 0.674419
279 GTP 0.441176 0.896104
280 Y3J 0.440476 0.706667
281 SAM 0.44 0.674419
282 649 0.439655 0.747253
283 12D 0.438596 0.809524
284 A3S 0.4375 0.789474
285 NPW 0.436975 0.864198
286 GCP 0.436893 0.873418
287 AAT 0.435644 0.690476
288 GNH 0.435644 0.909091
289 EEM 0.435644 0.674419
290 ETB 0.435484 0.813953
291 DCA 0.435484 0.804598
292 N6P 0.433962 0.890411
293 NZQ 0.433333 0.886076
294 TXP 0.433333 0.897436
295 PGS 0.43299 0.860759
296 APU 0.432203 0.871795
297 PUA 0.432 0.8625
298 62F 0.431655 0.841463
299 F2N 0.431507 0.795455
300 DA 0.430108 0.855263
301 D5M 0.430108 0.855263
302 J7V 0.429688 0.813953
303 NIA 0.428571 0.848101
304 COA 0.428571 0.804598
305 6K6 0.428571 0.905405
306 A3T 0.428571 0.8
307 0T1 0.428571 0.804598
308 P5F 0.427586 0.804598
309 AAM 0.425532 0.944444
310 0UM 0.424528 0.682353
311 8Q2 0.423729 0.775281
312 G1R 0.423077 0.884615
313 AMZ 0.422222 0.891892
314 C2R 0.422222 0.88
315 A U 0.420168 0.848101
316 IDP 0.42 0.894737
317 GSP 0.419048 0.851852
318 30N 0.418605 0.736842
319 CAO 0.418605 0.777778
320 DG1 0.418605 0.897436
321 1DG 0.418605 0.897436
322 COS 0.418605 0.786517
323 AMX 0.418605 0.813953
324 TM1 0.418182 0.797619
325 A6D 0.416667 0.746988
326 K15 0.416667 0.666667
327 V1N 0.415929 0.893333
328 CMX 0.415385 0.804598
329 SCO 0.415385 0.804598
330 GEK 0.415094 0.719512
331 XNP 0.414634 0.851852
332 NHD 0.414634 0.881579
333 9JJ 0.413793 0.841463
334 AIR 0.413793 0.876712
335 COK 0.413534 0.786517
336 G2R 0.412844 0.8625
337 ACO 0.412214 0.777778
338 FAM 0.412214 0.786517
339 FCX 0.412214 0.777778
340 NAP 0.410853 0.92
341 FA9 0.409396 0.843373
342 SXZ 0.409091 0.694118
343 HAX 0.409091 0.806818
344 TAP 0.407692 0.884615
345 2MC 0.407407 0.752688
346 62X 0.407407 0.651685
347 GKE 0.40708 0.8625
348 GDC 0.40708 0.8625
349 GDD 0.40708 0.8625
350 3KK 0.406015 0.786517
351 FYN 0.406015 0.804598
352 NVA 2AD 0.405941 0.740741
353 NA0 0.40458 0.907895
354 101 0.404255 0.855263
355 G 0.40404 0.883117
356 5GP 0.40404 0.883117
357 HDV 0.403846 0.87013
358 MGP 0.403846 0.8625
359 OXK 0.402985 0.786517
360 MCD 0.402985 0.786517
361 CA6 0.402985 0.714286
362 SOP 0.402985 0.786517
363 3AD 0.402299 0.783784
364 S8M 0.401869 0.78481
365 YE1 0.40146 0.795455
366 NMX 0.4 0.782609
367 7RP 0.4 0.902778
368 2VA 0.4 0.779221
369 1VU 0.4 0.777778
370 CO6 0.4 0.786517
371 CMC 0.4 0.786517
372 6G0 0.4 0.8625
373 GMV 0.4 0.873418
Ligand no: 2; Ligand: MET; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 MED 1 1
2 MET 1 1
3 DBB 0.518519 0.655172
4 ABA 0.518519 0.655172
5 2FM 0.514286 0.666667
6 MF3 0.5 0.647059
7 NVA 0.5 0.758621
8 HSE 0.466667 0.617647
9 DAB 0.466667 0.636364
10 MHO 0.457143 0.717949
11 SME 0.457143 0.717949
12 HCS 0.451613 0.733333
13 API 0.451613 0.606061
14 CDT 0.447368 0.756757
15 2MM 0.444444 0.657143
16 NLE 0.441176 0.766667
17 ONL 0.441176 0.71875
18 UN1 0.428571 0.606061
19 11C 0.428571 0.606061
20 MSE 0.428571 0.9
21 DGL 0.424242 0.625
22 GGL 0.424242 0.625
23 GLU 0.424242 0.625
24 CBH 0.418605 0.685714
25 ORN 0.411765 0.65625
26 FME 0.410256 0.84375
27 AME 0.410256 0.771429
28 LEU 0.40625 0.666667
29 JM6 0.4 0.7
30 CYS 0.4 0.666667
31 DCY 0.4 0.666667
32 C2N 0.4 0.633333
Ligand no: 3; Ligand: PPK; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 PPK 1 1
2 2PN 0.473684 0.9
3 PPV 0.473684 0.7
4 PIS 0.409091 0.617647
Ligand no: 4; Ligand: SAM; Similar ligands found: 202
No: Ligand ECFP6 Tc MDL keys Tc
1 SAM 1 1
2 SMM 0.792683 0.96
3 S4M 0.6875 0.909091
4 S7M 0.670455 0.945946
5 M2T 0.636364 0.878378
6 GEK 0.612903 0.931507
7 SAI 0.571429 0.878378
8 ADN 0.565789 0.773333
9 RAB 0.565789 0.773333
10 XYA 0.565789 0.773333
11 5CD 0.564103 0.783784
12 EP4 0.5625 0.826667
13 SA8 0.56044 0.945205
14 SFG 0.555556 0.875
15 5X8 0.555556 0.888889
16 5N5 0.551282 0.773333
17 A4D 0.544304 0.797297
18 EEM 0.542553 0.945946
19 SAH 0.537634 0.916667
20 DTA 0.536585 0.789474
21 62X 0.535354 0.884615
22 MTA 0.53012 0.875
23 3DH 0.517647 0.849315
24 5AL 0.510417 0.743902
25 54H 0.510204 0.673913
26 VMS 0.510204 0.673913
27 0UM 0.51 0.857143
28 AMP 0.505747 0.707317
29 LMS 0.505747 0.666667
30 A 0.505747 0.707317
31 ABM 0.505618 0.753086
32 A5A 0.505155 0.688889
33 SON 0.5 0.746988
34 SSA 0.5 0.684783
35 6RE 0.5 0.78481
36 K15 0.5 0.883117
37 5AD 0.5 0.75
38 SRP 0.5 0.746988
39 LSS 0.49505 0.706522
40 CA0 0.494624 0.714286
41 A12 0.494505 0.705882
42 AP2 0.494505 0.705882
43 ME8 0.490385 0.841463
44 TSB 0.49 0.681319
45 53H 0.49 0.666667
46 DAL AMP 0.49 0.765432
47 5CA 0.49 0.684783
48 ACP 0.489362 0.694118
49 ADP 0.48913 0.690476
50 5AS 0.48913 0.648936
51 J7C 0.488889 0.772152
52 A2D 0.488889 0.690476
53 ZAS 0.488636 0.769231
54 9ZD 0.485149 0.729412
55 9ZA 0.485149 0.729412
56 8QN 0.485149 0.743902
57 GAP 0.484536 0.73494
58 AN2 0.483871 0.682353
59 A3S 0.483871 0.813333
60 A7D 0.483871 0.851351
61 GJV 0.483516 0.775
62 SRA 0.483146 0.694118
63 LAD 0.480769 0.752941
64 KAA 0.480769 0.698925
65 GSU 0.480769 0.722222
66 AMO 0.480392 0.746988
67 DSZ 0.480392 0.703297
68 52H 0.48 0.666667
69 M33 0.478723 0.722892
70 BA3 0.478261 0.690476
71 MAO 0.478261 0.82716
72 NEC 0.477778 0.75
73 AOC 0.477778 0.776316
74 DSH 0.477778 0.842105
75 SXZ 0.47619 0.894737
76 AHX 0.475728 0.701149
77 NVA LMS 0.475728 0.736264
78 Y3J 0.47561 0.706667
79 G5A 0.474227 0.684783
80 A3T 0.473684 0.8
81 B4P 0.473118 0.690476
82 AP5 0.473118 0.690476
83 A3N 0.472527 0.766234
84 KB1 0.471698 0.833333
85 PRX 0.46875 0.73494
86 APC 0.46875 0.705882
87 AT4 0.468085 0.686047
88 PAJ 0.466019 0.712644
89 4AD 0.466019 0.759036
90 RBY 0.463918 0.72619
91 ADP PO3 0.463918 0.728395
92 ADV 0.463918 0.72619
93 ADX 0.463158 0.666667
94 MHZ 0.463158 0.82716
95 AU1 0.463158 0.674419
96 YAP 0.462963 0.738095
97 TXA 0.462264 0.72619
98 NB8 0.462264 0.72093
99 A3G 0.461538 0.802632
100 VRT 0.459184 0.842105
101 XAH 0.458716 0.715909
102 YSA 0.458716 0.684783
103 HEJ 0.458333 0.690476
104 50T 0.458333 0.682353
105 ATP 0.458333 0.690476
106 LEU LMS 0.457143 0.717391
107 7D7 0.45679 0.723684
108 KH3 0.455357 0.871795
109 ACQ 0.454545 0.694118
110 AR6 0.453608 0.710843
111 APR 0.453608 0.710843
112 AQP 0.453608 0.690476
113 5FA 0.453608 0.690476
114 NSS 0.451923 0.703297
115 FA5 0.449541 0.746988
116 A5D 0.44898 0.789474
117 AD9 0.44898 0.674419
118 AGS 0.44898 0.678161
119 SAP 0.44898 0.678161
120 PTJ 0.448598 0.72093
121 YLB 0.448276 0.758621
122 YLP 0.447368 0.738636
123 8X1 0.446602 0.680851
124 D3Y 0.446602 0.792208
125 ADP ALF 0.445545 0.678161
126 ALF ADP 0.445545 0.678161
127 3AM 0.444444 0.674699
128 MYR AMP 0.444444 0.776471
129 OAD 0.443396 0.73494
130 2VA 0.443299 0.779221
131 S8M 0.442308 0.831169
132 OOB 0.442308 0.722892
133 TYR AMP 0.441441 0.759036
134 6YZ 0.441176 0.694118
135 ADP VO4 0.441176 0.702381
136 VO4 ADP 0.441176 0.702381
137 T99 0.44 0.686047
138 TAT 0.44 0.686047
139 ANP 0.44 0.674419
140 WAQ 0.439252 0.75
141 B5Y 0.436364 0.717647
142 8PZ 0.436364 0.684783
143 F0P 0.435897 0.844156
144 YLC 0.435897 0.755814
145 AAT 0.435644 0.797468
146 1ZZ 0.435185 0.755814
147 9K8 0.435185 0.663158
148 3OD 0.435185 0.73494
149 NVA 2AD 0.434343 0.855263
150 00A 0.433962 0.689655
151 DLL 0.433962 0.722892
152 ARG AMP 0.433628 0.727273
153 7MD 0.433628 0.715909
154 ATF 0.431373 0.666667
155 SO8 0.43 0.792208
156 3UK 0.429907 0.714286
157 A6D 0.429907 0.72619
158 9X8 0.429907 0.717647
159 F2R 0.429752 0.7
160 5SV 0.428571 0.741176
161 AMP DBH 0.428571 0.714286
162 TYM 0.42735 0.746988
163 WSA 0.42735 0.692308
164 9SN 0.427273 0.681818
165 AHZ 0.426087 0.755814
166 P5A 0.425926 0.691489
167 B5V 0.425926 0.705882
168 PR8 0.425926 0.744186
169 A A 0.425926 0.710843
170 3NZ 0.425926 0.807692
171 A1R 0.424528 0.709302
172 2A5 0.424242 0.674419
173 7MC 0.423729 0.719101
174 B5M 0.423423 0.717647
175 7D5 0.422222 0.658824
176 JB6 0.422018 0.709302
177 FYA 0.422018 0.722892
178 AYB 0.421488 0.75
179 A22 0.419048 0.682353
180 MAP 0.419048 0.659091
181 2AM 0.417582 0.666667
182 TAD 0.417391 0.712644
183 A3P 0.416667 0.686747
184 ADP BMA 0.416667 0.714286
185 25A 0.415094 0.690476
186 YLA 0.413223 0.719101
187 8Q2 0.411765 0.663158
188 A3R 0.411215 0.709302
189 ADQ 0.411215 0.694118
190 48N 0.410256 0.72093
191 0XU 0.41 0.824324
192 GA7 0.408696 0.72619
193 7D3 0.40625 0.643678
194 PAP 0.405941 0.678571
195 DQV 0.405172 0.702381
196 OVE 0.404255 0.662791
197 4UV 0.403509 0.697674
198 AF3 ADP 3PG 0.403361 0.712644
199 3AD 0.402299 0.783784
200 CMP 0.402062 0.691358
201 2BA 0.402062 0.682927
202 7C5 0.4 0.731707
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1P7L; Ligand: ANP; Similar sites found with APoc: 27
This union binding pocket(no: 1) in the query (biounit: 1p7l.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 4K55 H6P None
2 2PYW SR1 1.30548
3 3WUD GLC GAL 2.20588
4 4GNC ASO 2.34114
5 1Z6K OAA 2.38908
6 5G3R NAG 2.55682
7 2BMR 3NT 2.61097
8 2PCU ASP 2.62295
9 2ED4 NAD 2.68456
10 6B2W AG2 3.3033
11 3LGG CFE 3.39426
12 1LNX URI 3.7037
13 1DCP HBI 3.84615
14 1A05 IPM 3.91061
15 2CJ9 SSA 3.91645
16 1WHT BZS 3.92157
17 5N0F 7K2 4.14365
18 4JX1 CAH 4.42478
19 4JX1 CAM 4.42478
20 5CKS GAL 4.5584
21 2G2Y MLI 4.87013
22 3SQG COM 6.52742
23 1A78 TDG 6.71642
24 5N1Q COM 7.27969
25 1C1L GAL BGC 8.75912
26 2CHT TSA 14.1732
27 1SLT NDG GAL 19.403
Pocket No.: 2; Query (leader) PDB : 1P7L; Ligand: PPK; Similar sites found with APoc: 20
This union binding pocket(no: 2) in the query (biounit: 1p7l.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 4K55 H6P None
2 2PYW SR1 1.30548
3 4CIB 7UZ 2.08877
4 2XVL PXN 2.34987
5 1Z6K OAA 2.38908
6 5G3R NAG 2.55682
7 2ED4 NAD 2.68456
8 4UEC MGT 2.71739
9 3W6X HZP 3.05677
10 1DCP HBI 3.84615
11 1A05 IPM 3.91061
12 4JX1 CAM 4.42478
13 4JX1 CAH 4.42478
14 5CKS GAL 4.5584
15 2G2Y MLI 4.87013
16 1CBK ROI 6.25
17 1YRO UDP 6.50407
18 1XKD ICT 6.78851
19 1GXS DKA 8.14815
20 1SLT NDG GAL 19.403
Pocket No.: 3; Query (leader) PDB : 1P7L; Ligand: MET; Similar sites found with APoc: 21
This union binding pocket(no: 3) in the query (biounit: 1p7l.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 2PYW SR1 1.30548
2 3WUD GLC GAL 2.20588
3 4GNC ASO 2.34114
4 1Z6K OAA 2.38908
5 5G3R NAG 2.55682
6 2BMR 3NT 2.61097
7 2ED4 NAD 2.68456
8 1H70 CIR 3.52941
9 3G5N PB2 3.65535
10 1DCP HBI 3.84615
11 1A05 IPM 3.91061
12 5N0F 7K2 4.14365
13 4JX1 CAH 4.42478
14 4JX1 CAM 4.42478
15 5AEW BNL 4.78723
16 2G2Y MLI 4.87013
17 4QM9 CYS 5.20231
18 3SQG COM 6.52742
19 5N1Q COM 7.27969
20 1C1L GAL BGC 8.75912
21 1SLT NDG GAL 19.403
Pocket No.: 4; Query (leader) PDB : 1P7L; Ligand: PPK; Similar sites found with APoc: 14
This union binding pocket(no: 4) in the query (biounit: 1p7l.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 2DKD NG1 1.56658
2 3WUD GLC GAL 2.20588
3 4GNC ASO 2.34114
4 1A0T SUC 3.13316
5 6B2W AG2 3.3033
6 3LGG CFE 3.39426
7 5JQ1 ZPF 3.44828
8 1OH2 SUC 3.91645
9 1WHT BZS 3.92157
10 5VIT MLI 4.0404
11 2HAW 2PN 4.20712
12 2CI5 HCS 4.22535
13 3O03 GCO 5.15464
14 1A78 TDG 6.71642
Pocket No.: 5; Query (leader) PDB : 1P7L; Ligand: SAM; Similar sites found with APoc: 26
This union binding pocket(no: 5) in the query (biounit: 1p7l.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 4K55 H6P None
2 2DKD NG1 1.56658
3 3WUD GLC GAL 2.20588
4 4GNC ASO 2.34114
5 1Z6K OAA 2.38908
6 5G3R NAG 2.55682
7 2ED4 NAD 2.68456
8 1A0T SUC 3.13316
9 6B2W AG2 3.3033
10 3LGG CFE 3.39426
11 5JQ1 ZPF 3.44828
12 1DCP HBI 3.84615
13 1A05 IPM 3.91061
14 1OH2 SUC 3.91645
15 1WHT BZS 3.92157
16 5VIT MLI 4.0404
17 2HAW 2PN 4.20712
18 2CI5 HCS 4.22535
19 4JX1 CAH 4.42478
20 4JX1 CAM 4.42478
21 5CKS GAL 4.5584
22 2G2Y MLI 4.87013
23 3O03 GCO 5.15464
24 1YRO UDP 6.50407
25 1A78 TDG 6.71642
26 1SLT NDG GAL 19.403
Pocket No.: 6; Query (leader) PDB : 1P7L; Ligand: SAM; Similar sites found with APoc: 8
This union binding pocket(no: 6) in the query (biounit: 1p7l.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 2PYW SR1 1.30548
2 4CIB 7UZ 2.08877
3 2XVL PXN 2.34987
4 4UEC MGT 2.71739
5 3W6X HZP 3.05677
6 1CBK ROI 6.25
7 1XKD ICT 6.78851
8 1GXS DKA 8.14815
Pocket No.: 7; Query (leader) PDB : 1P7L; Ligand: MET; Similar sites found with APoc: 8
This union binding pocket(no: 7) in the query (biounit: 1p7l.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 4CU1 H4B 2.34987
2 2PCU ASP 2.62295
3 4UEC MGT 2.71739
4 5CKS GAL 4.5584
5 3NV3 GAL NAG MAN 5.07246
6 6GH9 MIX 6.30137
7 1YRO UDP 6.50407
8 1I7A FLC 9.00901
Pocket No.: 8; Query (leader) PDB : 1P7L; Ligand: ANP; Similar sites found with APoc: 8
This union binding pocket(no: 8) in the query (biounit: 1p7l.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 4CIB 7UZ 2.08877
2 4UEC MGT 2.71739
3 3W6X HZP 3.05677
4 1Y7P RIP 4.4843
5 5AEW BNL 4.78723
6 6GH9 MIX 6.30137
7 1YRO UDP 6.50407
8 1GXS DKA 8.14815
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