Receptor
PDB id Resolution Class Description Source Keywords
3MGB 2.04 Å EC: 2.8.2.- TEG 12 TERNARY STRUCTURE COMPLEXED WITH PAP AND THE TEICOPLA AGLYCONE UNCULTURED SOIL BACTERIUM SULFOTRANSFERASE GLYCOPEPTIDE ANTIBIOTIC TRANSFERASE-ANTICOMPLEX
Ref.: CRYSTAL STRUCTURES OF THE GLYCOPEPTIDE SULFOTRANSFE TEG12 IN A COMPLEX WITH THE TEICOPLANIN AGLYCONE. BIOCHEMISTRY V. 49 4159 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:287;
A:288;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
CL A:289;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GHP 3MY 3FG GHP GHP OMY 3FG C:387;
D:387;
Valid;
Valid;
none;
none;
submit data
1213.05 n/a ClC=1...
PAP A:286;
B:286;
Valid;
Valid;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3MGB 2.04 Å EC: 2.8.2.- TEG 12 TERNARY STRUCTURE COMPLEXED WITH PAP AND THE TEICOPLA AGLYCONE UNCULTURED SOIL BACTERIUM SULFOTRANSFERASE GLYCOPEPTIDE ANTIBIOTIC TRANSFERASE-ANTICOMPLEX
Ref.: CRYSTAL STRUCTURES OF THE GLYCOPEPTIDE SULFOTRANSFE TEG12 IN A COMPLEX WITH THE TEICOPLANIN AGLYCONE. BIOCHEMISTRY V. 49 4159 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3MGB - GHP 3MY 3FG GHP GHP OMY 3FG n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3MG9 - GHP 3MY 3FG GHP GHP OMY 3FG n/a n/a
2 3MGB - GHP 3MY 3FG GHP GHP OMY 3FG n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3MG9 - GHP 3MY 3FG GHP GHP OMY 3FG n/a n/a
2 3MGB - GHP 3MY 3FG GHP GHP OMY 3FG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GHP 3MY 3FG GHP GHP OMY 3FG; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 GHP 3MY 3FG GHP GHP OMY 3FG 1 1
Ligand no: 2; Ligand: PAP; Similar ligands found: 379
No: Ligand ECFP6 Tc MDL keys Tc
1 PAP 1 1
2 A3P 0.835616 0.985507
3 PPS 0.810127 0.884615
4 3AM 0.72973 0.942857
5 ADP 0.708861 0.985714
6 ATR 0.707317 0.985507
7 7D3 0.683544 0.917808
8 2A5 0.674699 0.931507
9 ATP 0.642857 0.985714
10 AQP 0.635294 0.985714
11 5FA 0.635294 0.985714
12 A2D 0.62963 0.957747
13 B4P 0.626506 0.957747
14 AP5 0.626506 0.957747
15 0WD 0.622642 0.907895
16 AN2 0.619048 0.971831
17 A22 0.615385 0.971831
18 DCA 0.614679 0.811765
19 ETB 0.614679 0.821429
20 BA3 0.614458 0.957747
21 7D4 0.611765 0.917808
22 SAP 0.609195 0.932432
23 AGS 0.609195 0.932432
24 COA 0.603604 0.811765
25 0T1 0.603604 0.811765
26 ACQ 0.595506 0.958333
27 ANP 0.595506 0.958333
28 A2P 0.595238 0.971014
29 PUA 0.594595 0.896104
30 M33 0.593023 0.944444
31 AMP 0.592593 0.957143
32 A 0.592593 0.957143
33 A A A 0.589474 0.891892
34 COS 0.587719 0.793103
35 CAO 0.587719 0.784091
36 30N 0.587719 0.741935
37 AMX 0.587719 0.821429
38 2AM 0.5875 0.957143
39 A2R 0.586957 0.971831
40 ACP 0.586207 0.958333
41 DAT 0.586207 0.917808
42 SCO 0.582609 0.811765
43 CMX 0.582609 0.811765
44 AV2 0.582418 0.930556
45 APR 0.579545 0.957747
46 AR6 0.579545 0.957747
47 TAT 0.577778 0.945205
48 FCX 0.577586 0.784091
49 FAM 0.577586 0.793103
50 ACO 0.577586 0.784091
51 ATP A A A 0.575758 0.916667
52 APU 0.575472 0.906667
53 7D5 0.575 0.890411
54 AD9 0.573034 0.958333
55 HAX 0.57265 0.793103
56 NMX 0.571429 0.75
57 25L 0.571429 0.971831
58 ADQ 0.568421 0.931507
59 3KK 0.567797 0.793103
60 FYN 0.567797 0.811765
61 A A 0.56701 0.930556
62 SOP 0.563025 0.793103
63 COK 0.563025 0.793103
64 MCD 0.563025 0.793103
65 CA6 0.563025 0.71875
66 OXK 0.563025 0.793103
67 APC 0.561798 0.945205
68 AMP MG 0.559524 0.878378
69 1VU 0.558333 0.784091
70 CMC 0.558333 0.793103
71 CO6 0.558333 0.793103
72 CA0 0.556818 0.931507
73 ADX 0.556818 0.860759
74 NA7 0.556701 0.945205
75 2MC 0.553719 0.758242
76 CAJ 0.553719 0.793103
77 SCD 0.553719 0.811765
78 ABM 0.552941 0.90411
79 MC4 0.552846 0.75
80 ADP BEF 0.550562 0.868421
81 50T 0.550562 0.944444
82 BEF ADP 0.550562 0.868421
83 MLC 0.54918 0.793103
84 1HE 0.54918 0.775281
85 BCO 0.54918 0.793103
86 IVC 0.54918 0.802326
87 A1S 0.54918 0.793103
88 3HC 0.54918 0.802326
89 ATF 0.548387 0.945205
90 SRA 0.547619 0.905405
91 G3D 0.547368 0.918919
92 3OD 0.545455 0.931507
93 YE1 0.544715 0.802326
94 CAA 0.544715 0.802326
95 MCA 0.544715 0.784091
96 COO 0.544715 0.793103
97 PRX 0.544444 0.88
98 25A 0.541667 0.957747
99 2CP 0.540323 0.784091
100 SCA 0.540323 0.793103
101 AP2 0.54023 0.945205
102 A12 0.54023 0.945205
103 XYA 0.539474 0.830986
104 RAB 0.539474 0.830986
105 ADN 0.539474 0.830986
106 AU1 0.539326 0.958333
107 ADP MG 0.539326 0.891892
108 BYC 0.536 0.793103
109 COW 0.536 0.784091
110 HGG 0.536 0.793103
111 COF 0.536 0.775281
112 3CP 0.536 0.793103
113 CA8 0.536 0.71875
114 1GZ 0.536 0.784091
115 IRC 0.536 0.802326
116 2KQ 0.536 0.775281
117 PAX 0.533898 0.839506
118 4CA 0.531746 0.784091
119 BCA 0.531746 0.784091
120 FAQ 0.531746 0.793103
121 CCQ 0.53125 0.758242
122 00A 0.530612 0.87013
123 OVE 0.529412 0.917808
124 HXC 0.527559 0.775281
125 GRA 0.527559 0.793103
126 3AT 0.526882 0.985714
127 DTP 0.526882 0.917808
128 SRP 0.526316 0.893333
129 OOB 0.525773 0.917808
130 OAD 0.525253 0.931507
131 TGC 0.523438 0.784091
132 ADP PO3 0.521739 0.929577
133 5AL 0.521277 0.917808
134 A1R 0.520408 0.894737
135 2NE 0.51938 0.775281
136 1CZ 0.51938 0.784091
137 CIC 0.51938 0.793103
138 CO8 0.51938 0.775281
139 S0N 0.51938 0.793103
140 ATP MG 0.516129 0.891892
141 MAP 0.515464 0.932432
142 UCC 0.515385 0.775281
143 0FQ 0.515385 0.793103
144 MFK 0.515385 0.775281
145 DCC 0.515385 0.775281
146 MYA 0.515385 0.775281
147 5F9 0.515385 0.775281
148 ST9 0.515385 0.775281
149 4CO 0.515385 0.784091
150 DLL 0.515152 0.917808
151 0ET 0.51145 0.775281
152 01A 0.51145 0.758242
153 GAP 0.510638 0.88
154 VO4 ADP 0.510417 0.917808
155 ANP MG 0.510417 0.881579
156 ADP VO4 0.510417 0.917808
157 ADP BMA 0.51 0.905405
158 CS8 0.507576 0.766667
159 1CV 0.507576 0.793103
160 WCA 0.507576 0.775281
161 ADV 0.505376 0.918919
162 RBY 0.505376 0.918919
163 PAJ 0.50505 0.871795
164 AMO 0.50505 0.918919
165 NHM 0.503759 0.775281
166 NHW 0.503759 0.775281
167 UOQ 0.503759 0.775281
168 4KX 0.503759 0.766667
169 HDC 0.503759 0.775281
170 HFQ 0.5 0.775281
171 MRS 0.5 0.775281
172 FA5 0.5 0.893333
173 BIS 0.5 0.92
174 12D 0.5 0.795181
175 MRR 0.5 0.775281
176 ALF ADP 0.5 0.857143
177 ADP ALF 0.5 0.857143
178 FYA 0.5 0.891892
179 YNC 0.496296 0.784091
180 DAK 0.496296 0.766667
181 G A A A 0.495652 0.858974
182 3UK 0.49505 0.905405
183 8QN 0.494949 0.917808
184 5SV 0.494949 0.835443
185 V3L 0.494737 0.957747
186 SON 0.494505 0.918919
187 8Z2 0.492647 0.766667
188 A U 0.491071 0.857143
189 LAD 0.490196 0.848101
190 WAQ 0.490196 0.87013
191 4AD 0.49 0.906667
192 5N5 0.4875 0.805556
193 7D7 0.487179 0.753425
194 NJP 0.486957 0.932432
195 YAP 0.485714 0.881579
196 NHQ 0.485507 0.802326
197 PTJ 0.485437 0.883117
198 1ZZ 0.485437 0.82716
199 ME8 0.485437 0.82716
200 NB8 0.485437 0.883117
201 AHX 0.485149 0.883117
202 U A C C 0.483051 0.846154
203 NPW 0.482456 0.873418
204 NDP 0.482456 0.907895
205 G5P 0.481481 0.907895
206 5CD 0.481481 0.791667
207 A4D 0.481481 0.805556
208 AFH 0.481481 0.871795
209 DDS 0.479167 0.890411
210 U A G G 0.478632 0.87013
211 1HA 0.478571 0.775281
212 UP5 0.477477 0.906667
213 9SN 0.47619 0.858974
214 PR8 0.475728 0.8375
215 G4P 0.475248 0.918919
216 01K 0.475177 0.793103
217 ODP 0.474138 0.896104
218 ITT 0.473118 0.929577
219 G3A 0.472222 0.907895
220 D5M 0.47191 0.890411
221 DA 0.47191 0.890411
222 A3G 0.47191 0.786667
223 COT 0.471831 0.793103
224 J7V 0.471545 0.821429
225 TXA 0.471154 0.918919
226 APC G U 0.470588 0.846154
227 DAL AMP 0.47 0.891892
228 48N 0.468468 0.883117
229 PO4 PO4 A A A A PO4 0.466019 0.915493
230 NZQ 0.465517 0.896104
231 TXP 0.465517 0.907895
232 CA3 0.465278 0.793103
233 NAI 0.464286 0.894737
234 EP4 0.464286 0.74026
235 NAX 0.464286 0.860759
236 NXX 0.464286 0.918919
237 DND 0.464286 0.918919
238 128 0.464286 0.785714
239 GTA 0.463636 0.873418
240 4UV 0.462963 0.881579
241 101 0.460674 0.890411
242 6RE 0.460674 0.746835
243 TYM 0.460177 0.893333
244 OMR 0.460177 0.839506
245 LAQ 0.459459 0.82716
246 6AD 0.459184 0.896104
247 M2T 0.458824 0.721519
248 DTA 0.458824 0.773333
249 XNP 0.457627 0.884615
250 T5A 0.456897 0.829268
251 139 0.456897 0.860759
252 AP0 0.45614 0.883117
253 4TC 0.45614 0.883117
254 UPA 0.45614 0.894737
255 U A A U 0.456 0.894737
256 5AD 0.455696 0.732394
257 AOC 0.455556 0.808219
258 GGZ 0.455446 0.835443
259 YLP 0.455357 0.807229
260 4UU 0.454545 0.881579
261 XAH 0.453704 0.82716
262 MTA 0.453488 0.76
263 A4P 0.452174 0.831325
264 5AS 0.451613 0.767442
265 NAP 0.451613 0.931507
266 TXD 0.451327 0.894737
267 4UW 0.451327 0.848101
268 6V0 0.451327 0.883117
269 Y3J 0.451219 0.712329
270 CA5 0.449664 0.758242
271 ZAS 0.449438 0.753247
272 1DG 0.448 0.907895
273 DG1 0.448 0.907895
274 TAP 0.448 0.894737
275 TXE 0.447368 0.894737
276 A3S 0.446809 0.797297
277 7DD 0.446809 0.971429
278 UCA 0.446667 0.775281
279 93P 0.446667 0.784091
280 COD 0.445378 0.8
281 NAD 0.445378 0.917808
282 NA0 0.444444 0.918919
283 3DH 0.443182 0.76
284 AR6 AR6 0.441441 0.90411
285 CNA 0.440678 0.918919
286 TYR AMP 0.440367 0.868421
287 NEC 0.43956 0.733333
288 MYR AMP 0.439252 0.804878
289 TM1 0.439252 0.783133
290 A U C C 0.438462 0.835443
291 A3D 0.438017 0.905405
292 5X8 0.4375 0.75
293 A3T 0.4375 0.808219
294 AMP DBH 0.436364 0.88
295 V1N 0.436364 0.90411
296 A G U 0.43609 0.82716
297 NAE 0.435484 0.881579
298 J7C 0.434783 0.75641
299 AS 0.434783 0.844156
300 93M 0.432258 0.784091
301 ADJ 0.432203 0.839506
302 YLC 0.431034 0.82716
303 YLB 0.431034 0.807229
304 S4M 0.430108 0.655172
305 JB6 0.429907 0.87013
306 0O2 0.429907 0.918919
307 ZID 0.428571 0.905405
308 A5D 0.428571 0.773333
309 OXT 0.428571 0.741935
310 ANZ 0.428571 0.810127
311 3AD 0.428571 0.816901
312 MAO 0.425532 0.746988
313 G5A 0.424242 0.767442
314 DSH 0.423913 0.7125
315 IOT 0.423729 0.819277
316 2VA 0.42268 0.786667
317 SFG 0.42268 0.736842
318 EAD 0.421875 0.860759
319 AHZ 0.421053 0.804878
320 NAQ 0.420635 0.858974
321 3NZ 0.420561 0.769231
322 HMG 0.42029 0.761364
323 YLA 0.420168 0.807229
324 A3N 0.419355 0.773333
325 CPA 0.418803 0.814815
326 DZD 0.418033 0.871795
327 CO7 0.41791 0.793103
328 QQY 0.417582 0.826667
329 103 0.417582 0.849315
330 ACK 0.417582 0.873239
331 LPA AMP 0.417391 0.804878
332 AYB 0.416667 0.797619
333 ZZB 0.416667 0.783133
334 BSJ 0.416149 0.766667
335 7MD 0.415929 0.85
336 GJV 0.414894 0.7375
337 PLM COA 0.414286 0.744444
338 COA PLM 0.414286 0.744444
339 COA MYR 0.414286 0.744444
340 ZDA 0.414141 0.876712
341 NVA 2AD 0.414141 0.753247
342 SA8 0.414141 0.695122
343 TSB 0.413462 0.807229
344 D3Y 0.413462 0.776316
345 TAD 0.412281 0.871795
346 U G A 0.411765 0.82716
347 A5A 0.411765 0.795181
348 A6D 0.411215 0.710843
349 AF3 ADP 3PG 0.410256 0.825
350 ALF ADP 3PG 0.410256 0.825
351 LA8 ALF 3PG 0.410256 0.825
352 SAI 0.41 0.721519
353 VRT 0.41 0.75641
354 SO8 0.41 0.776316
355 SAH 0.41 0.730769
356 NDE 0.409091 0.918919
357 P1H 0.409091 0.839506
358 ARG AMP 0.408696 0.817073
359 SSA 0.407767 0.788235
360 SMM 0.407767 0.674419
361 7MC 0.40678 0.829268
362 QQX 0.406593 0.815789
363 BT5 0.406504 0.819277
364 4BN 0.406061 0.741935
365 5TW 0.406061 0.741935
366 SAM 0.405941 0.678571
367 M24 0.404762 0.8375
368 6FA 0.404412 0.829268
369 IMO 0.404255 0.915493
370 7DT 0.40404 0.971429
371 VMS 0.403846 0.776471
372 52H 0.403846 0.767442
373 54H 0.403846 0.776471
374 NDC 0.402985 0.858974
375 A7D 0.402062 0.763158
376 EEM 0.401961 0.678571
377 NAD IBO 0.401639 0.857143
378 53H 0.4 0.767442
379 5CA 0.4 0.788235
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3MGB; Ligand: PAP; Similar sites found: 171
This union binding pocket(no: 1) in the query (biounit: 3mgb.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4R2I ANP 0.01831 0.40923 None
2 2WIC GNP 0.004684 0.42522 1.25392
3 1G6H ADP 0.007515 0.43706 1.55642
4 1XP8 AGS 0.001852 0.45453 1.5674
5 2FNA ADP 0.0006364 0.4353 1.5674
6 5LB3 ADP 0.01231 0.41354 1.57303
7 2AWN ADP 0.003953 0.45476 1.88088
8 2XT3 ADP 0.00352 0.45052 1.88088
9 4B47 GDP 0.00531 0.43177 1.88088
10 5FTB ANP 0.007507 0.4115 1.88088
11 3PQC GDP 0.009961 0.40581 2.05128
12 2IYL GDP 0.006095 0.42415 2.11268
13 3TK1 GDP 0.003966 0.44329 2.19436
14 1W5T ADP 0.001847 0.43105 2.19436
15 5GJC ATP 0.009726 0.41428 2.19436
16 1W5T ANP 0.005299 0.40386 2.19436
17 1G7S GDP 0.0135 0.40339 2.19436
18 1GXU 2HP 0.0002228 0.53649 2.1978
19 3BFV ADP 0.004397 0.43104 2.21402
20 5CK5 GDP 0.005987 0.42917 2.21519
21 4NON GDP 0.009138 0.4156 2.30769
22 1FP6 ADP 0.006988 0.40912 2.42215
23 3W5J GDP 0.001144 0.47998 2.45098
24 1JWY GDP 0.004115 0.41953 2.50784
25 1JWY ADP 0.01093 0.40775 2.50784
26 1TAD GDP 0.01142 0.40043 2.50784
27 2GDJ ANP 0.01161 0.41053 2.65152
28 2OG2 MLI 0.0005837 0.50575 2.82132
29 2B8W ALF 5GP 0.002269 0.42495 2.82132
30 2NCD ADP 0.01215 0.42036 2.82132
31 1V6A TRE 0.01569 0.41429 2.82132
32 2WHX ADP 0.004059 0.44497 2.91262
33 3B9Q MLI 0.001545 0.47395 2.98013
34 5GVR LMR 0.009979 0.44702 2.99145
35 2CFI ZZZ 0.02117 0.40175 3.03951
36 3B7G ANP 0.006078 0.41985 3.04348
37 4PPF FLC 0.002587 0.46308 3.1348
38 5GOE GDP 0.005437 0.41799 3.1348
39 3MD0 GDP 0.01292 0.4125 3.1348
40 3DZD ADP 0.009281 0.40354 3.1348
41 3RC3 ANP 0.02255 0.40038 3.1348
42 3GJ0 GDP 0.01777 0.40152 3.16742
43 2OBM ADP 0.001453 0.47472 3.44828
44 1KC7 PPR 0.005054 0.44142 3.44828
45 5I34 GDP 0.003872 0.42913 3.44828
46 4LC1 GDP 0.00862 0.41683 3.44828
47 2BIF SIN 0.01451 0.41002 3.44828
48 2BIF ANP 0.009037 0.41002 3.44828
49 3B5J 12D 0.02246 0.40466 3.44828
50 3LN9 FLC 0.01949 0.4136 3.59712
51 1JJ7 ADP 0.006333 0.44111 3.76176
52 1SKQ GDP 0.004274 0.43647 3.76176
53 2XZ9 PYR 0.01146 0.42241 3.76176
54 2GK6 ADP 0.0104 0.42186 3.76176
55 1JI0 ATP 0.01568 0.4127 3.76176
56 5IRN ADP 0.006797 0.40967 3.76176
57 4HSE ADP 0.01058 0.40844 3.76176
58 1SVK ALF GDP 0.01243 0.40013 3.76176
59 3NOJ PYR 0.02318 0.41306 3.78151
60 1G4U GDP 0.004509 0.41029 3.80435
61 3CNL GNP 0.01086 0.41628 3.81679
62 3BER AMP 0.01104 0.4116 4.01606
63 1F6B GDP 0.007611 0.41522 4.0404
64 3LRE ADP 0.004807 0.43963 4.07523
65 2ZFI ADP 0.01573 0.4041 4.09836
66 1GRN GDP 0.007882 0.40318 4.18848
67 1ZJ6 G3D 0.004903 0.42428 4.27807
68 4AG5 ADP 0.00275 0.45541 4.38871
69 3WY9 GDP 0.005082 0.43272 4.38871
70 3WYA GDP 0.005346 0.42692 4.38871
71 4UP4 NDG 0.01374 0.41736 4.38871
72 4UP4 NAG 0.01374 0.41736 4.38871
73 1P9B GDP 0.008888 0.40087 4.38871
74 1TU3 GNP 0.009799 0.40057 4.38871
75 1FZQ GDP 0.004141 0.4323 4.41989
76 1I4D GDP 0.01113 0.41574 4.46429
77 2CBZ ATP 0.002653 0.45944 4.64135
78 4DID GDP 0.01363 0.4032 4.66321
79 1D2E GDP 0.009121 0.40388 4.70219
80 1ZRH A3P 0.0001692 0.46715 4.74453
81 4YDS ATP 0.01074 0.42113 4.82456
82 4DKX GDP 0.005032 0.4282 5.09259
83 4R98 GNH 0.00496 0.4285 5.16605
84 3LLZ GAL NGA 0.02382 0.41045 5.26316
85 2DPY ADP 0.006669 0.43174 5.32915
86 3A1S GDP 0.008941 0.4119 5.42636
87 5HR5 ADP 0.00384 0.417 5.64263
88 3EZ2 ADP 0.02197 0.40094 5.64263
89 3DEF GDP 0.009268 0.40357 5.72519
90 3U6B GDP 0.003722 0.43946 5.83756
91 5JBQ GDP 0.004195 0.43203 5.83756
92 4G5G GDP 0.004673 0.42976 5.83756
93 3U6K GDP 0.006054 0.42429 5.83756
94 4PC3 GDP 0.01243 0.40135 5.83756
95 4CVN ADP 0.006856 0.43113 5.83942
96 1SQ5 ADP 0.009109 0.41152 5.84416
97 3DC4 ADP 0.02251 0.4046 5.95611
98 3AQ4 GDP 0.006117 0.41972 5.97826
99 3FB4 AP5 0.01216 0.4107 6.01852
100 1S9D GDP 0.006028 0.42002 6.09756
101 3N5C GDP 0.003392 0.43651 6.17284
102 1GOJ ADP 0.003561 0.44763 6.26959
103 3VX3 ADP 0.00565 0.40605 6.26959
104 4C12 ADP 0.03148 0.40213 6.26959
105 4PX9 ADP 0.009176 0.41992 6.50685
106 4GBM A3P 0.000008912 0.50216 6.58307
107 2ZR9 DTP 0.0005545 0.47464 6.58307
108 5M04 GDP 0.002754 0.44597 6.58307
109 1YQT ADP 0.01217 0.42135 6.58307
110 1G3Q ADP 0.00726 0.4162 6.75105
111 3NHB ADP 0.01007 0.42513 6.86275
112 4IEE AGS 0.01019 0.41765 6.89655
113 5WRJ A3P 0.000001015 0.56905 6.93069
114 3GJ7 GDP 0.01379 0.40689 7.14286
115 1JJV ATP 0.002896 0.45345 7.21003
116 4R43 GDP 0.002648 0.44172 7.21003
117 5JCZ GDP 0.007034 0.40193 7.21003
118 1Z0F GDP 0.007706 0.41497 7.26257
119 1G0N PHH 0.01993 0.40362 7.42049
120 1G0N NDP 0.02066 0.40013 7.42049
121 3TNF GNP 0.005106 0.4144 7.47126
122 2J5V PCA 0.0468 0.4017 7.52351
123 4YLG GDP 0.0033 0.41991 8.09249
124 4XTR ADP 0.005349 0.40708 8.10811
125 2VDY HCY 0.009085 0.42767 8.15047
126 1FNN ADP 0.004433 0.41061 8.15047
127 5KSZ GCP 0.01014 0.40545 8.46395
128 5LTJ ADP 0.0148 0.40149 8.46395
129 4YMU ATP 0.004696 0.43443 8.63636
130 5TSH ADP 0.0023 0.45998 8.77743
131 5TSH ANP 0.01441 0.40596 8.77743
132 4DCT GDP 0.01302 0.40415 9.09091
133 2BCG GDP 0.003585 0.4146 9.2233
134 1Y63 ADP 0.01037 0.41294 9.23913
135 2CJW GDP 0.007049 0.42108 9.375
136 2W58 ADP 0.00192 0.46874 9.40594
137 4WZ6 ATP 0.01462 0.41762 9.65517
138 5VGR GDP 0.001371 0.43676 9.71787
139 1VHT BA3 0.009478 0.40681 10.0917
140 1ZD9 GDP 0.003597 0.41454 10.1064
141 5TAR GDP 0.008054 0.40633 10.1351
142 4BQS ADP 0.01669 0.40285 10.2273
143 3BD9 A3P 0.0003628 0.47778 10.3571
144 4J0Q GDP 0.002378 0.44914 10.6583
145 2QN6 GDP 0.006164 0.42854 10.7527
146 1VKJ A3P 0.0002025 0.46385 11.2281
147 5WRI A3P 0.000002662 0.5325 11.5987
148 5E5U MLI 0.01133 0.44562 12.0603
149 5KQG 6VX 0.007499 0.41978 12.3596
150 5L3V GDP 0.008708 0.40851 12.709
151 2PL3 ADP 0.0175 0.4059 12.7119
152 1T8U A3P 0.00009183 0.47837 13.1661
153 1T8U UAP SGN IDS SGN 0.000402 0.47831 13.1661
154 2V7Q ATP 0.004302 0.4227 14
155 2V7Q ADP 0.01893 0.40018 14
156 2WJG GDP 0.003268 0.43729 14.1066
157 5KSP GDP 0.007959 0.4143 14.7368
158 5X2N ALA 0.01851 0.41234 14.7465
159 5H67 ATP 0.009151 0.41142 15.0754
160 1D5C GDP 0.006534 0.40679 15.4321
161 1X8J A3P 0.0000001692 0.45511 24.4514
162 4GOX A3P 0.00000897 0.50162 25.7053
163 1Q20 PLO 0.00000004538 0.51281 28.0936
164 1Q20 A3P 0.00000004538 0.51281 28.0936
165 1G3M PCQ 0.000000005123 0.50076 31.6327
166 1G3M A3P 0.000000005123 0.50076 31.6327
167 1J99 AND 0.0003382 0.47377 32.4232
168 1AQU A3P 0.0000000003913 0.68267 32.6599
169 2ZPT A3P 0.00000007441 0.66821 35.9322
170 3QVV A3P 0.00000004147 0.46725 39.8119
171 3QVV 3QV 0.00000004147 0.46725 39.8119
Pocket No.: 2; Query (leader) PDB : 3MGB; Ligand: GHP 3MY 3FG GHP GHP OMY 3FG; Similar sites found: 9
This union binding pocket(no: 2) in the query (biounit: 3mgb.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5CDH TLA 0.002787 0.42681 1.5674
2 2VZ6 FEF 0.01459 0.4057 1.88088
3 5CKW ANP 0.008154 0.41801 2.19436
4 1DKU AP2 0.01948 0.40501 2.52366
5 2QLU ADE 0.02975 0.40813 2.86624
6 1TZD ADP 0.02075 0.40442 2.90909
7 4HN1 THM 0.04609 0.4225 2.98507
8 2J73 GLC GLC GLC GLC 0.04083 0.40423 9.70874
9 3OKA GDD 0.007492 0.4198 33.3333
Pocket No.: 3; Query (leader) PDB : 3MGB; Ligand: PAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3mgb.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3MGB; Ligand: GHP 3MY 3FG GHP GHP OMY 3FG; Similar sites found: 4
This union binding pocket(no: 4) in the query (biounit: 3mgb.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2NZ5 226 0.0221 0.42287 2.19436
2 3F5A SIA GAL NAG 0.003969 0.42626 2.43902
3 4K90 MLA 0.01024 0.41346 2.50784
4 1OF8 G3P 0.01461 0.40216 5.01567
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