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Receptor
PDB id Resolution Class Description Source Keywords
2AJ4 2.4 Å EC: 2.7.1.6 CRYSTAL STRUCTURE OF SACCHAROMYCES CEREVISIAE GALACTOKINASE IN COMPLEX WITH GALACTOSE AND MG:AMPPNP SACCHAROMYCES CEREVISIAE GALACTOKINASE GALACTOSEMIA TRANSCRIPTION TRANSFERASE
Ref.: MOLECULAR STRUCTURE OF SACCHAROMYCES CEREVISIAE GAL1P, A BIFUNCTIONAL GALACTOKINASE AND TRANSCRIPTIONAL INDUCER J.BIOL.CHEM. V. 280 36905 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ANP A:532;
B:532;
Valid;
Valid;
none;
none;
submit data
506.196 C10 H17 N6 O12 P3 c1nc(...
CL A:531;
B:531;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
GLA A:529;
B:529;
Valid;
Valid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
MG A:530;
B:530;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2AJ4 2.4 Å EC: 2.7.1.6 CRYSTAL STRUCTURE OF SACCHAROMYCES CEREVISIAE GALACTOKINASE IN COMPLEX WITH GALACTOSE AND MG:AMPPNP SACCHAROMYCES CEREVISIAE GALACTOKINASE GALACTOSEMIA TRANSCRIPTION TRANSFERASE
Ref.: MOLECULAR STRUCTURE OF SACCHAROMYCES CEREVISIAE GAL1P, A BIFUNCTIONAL GALACTOKINASE AND TRANSCRIPTIONAL INDUCER J.BIOL.CHEM. V. 280 36905 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2AJ4 - GLA C6 H12 O6 C([C@@H]1[....
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 2AJ4 - GLA C6 H12 O6 C([C@@H]1[....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2A2C - NG1 C8 H16 N O9 P CC(=O)N[C@....
2 2A2D - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 2AJ4 - GLA C6 H12 O6 C([C@@H]1[....
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: GLA; Similar ligands found: 142
No: Ligand ECFP6 Tc MDL keys Tc
1 WOO 1 1
2 GLC 1 1
3 BGC 1 1
4 ALL 1 1
5 BMA 1 1
6 GXL 1 1
7 GIV 1 1
8 GAL 1 1
9 MAN 1 1
10 GLA 1 1
11 Z6J 0.653846 0.866667
12 32O 0.653846 0.866667
13 RIB 0.653846 0.866667
14 FUB 0.653846 0.866667
15 AHR 0.653846 0.866667
16 MLB 0.511628 0.848485
17 GLC GLC 0.511628 0.848485
18 BGC GLC 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 BMA GLA 0.511628 0.848485
23 GLA BGC 0.511628 0.848485
24 MAN MAN 0.511628 0.848485
25 GLA GLC 0.511628 0.848485
26 BMA MAN 0.511628 0.848485
27 GAL GLC 0.511628 0.848485
28 GAL GAL 0.511628 0.848485
29 LAK 0.511628 0.848485
30 GLC BGC 0.511628 0.848485
31 YDR 0.5 0.8
32 GLC GLC GLC GLC BGC 0.488889 0.848485
33 GLC GLC GLC 0.488889 0.848485
34 MAN MAN MAN 0.488889 0.848485
35 BMA MAN MAN 0.488889 0.848485
36 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
37 EMZ 0.472222 0.794118
38 BG6 0.461538 0.675
39 BGP 0.461538 0.675
40 G6P 0.461538 0.675
41 M6P 0.461538 0.675
42 M6D 0.461538 0.675
43 A6P 0.461538 0.675
44 GAF 0.457143 0.875
45 SHG 0.457143 0.875
46 2FG 0.457143 0.875
47 G2F 0.457143 0.875
48 2H5 0.457143 0.875
49 GCS 0.457143 0.777778
50 1GN 0.457143 0.777778
51 X6X 0.457143 0.777778
52 PA1 0.457143 0.777778
53 95Z 0.457143 0.777778
54 G3F 0.457143 0.875
55 NGR 0.454545 0.848485
56 MAL 0.454545 0.848485
57 MAN GLC 0.454545 0.848485
58 GAL BGC 0.454545 0.848485
59 GLA GLA 0.454545 0.848485
60 BGC BMA 0.454545 0.848485
61 M3M 0.454545 0.848485
62 GLA GAL 0.454545 0.848485
63 MAB 0.454545 0.848485
64 GLC GAL 0.454545 0.848485
65 B2G 0.454545 0.848485
66 LBT 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 LAT 0.454545 0.848485
69 BGC GAL 0.454545 0.848485
70 CBI 0.454545 0.848485
71 CBK 0.454545 0.848485
72 N9S 0.454545 0.848485
73 LB2 0.454545 0.848485
74 3MG 0.444444 0.875
75 TCB 0.444444 0.8
76 GLC SGC 0.444444 0.8
77 YIO 0.441176 0.870968
78 2GS 0.432432 0.875
79 2M4 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 MAN BMA BMA 0.416667 0.848485
84 BMA MAN BMA 0.416667 0.848485
85 CTR 0.416667 0.848485
86 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
87 GLA GAL BGC 0.416667 0.848485
88 CE5 0.416667 0.848485
89 MLR 0.416667 0.848485
90 CE6 0.416667 0.848485
91 MT7 0.416667 0.848485
92 BMA BMA BMA 0.416667 0.848485
93 GLC BGC BGC BGC BGC 0.416667 0.848485
94 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
95 BGC BGC BGC BGC BGC 0.416667 0.848485
96 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
97 BGC GLC GLC 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 MAN BMA BMA BMA BMA 0.416667 0.848485
100 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
101 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
102 MAN BMA BMA BMA BMA BMA 0.416667 0.848485
103 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 CTT 0.416667 0.848485
107 GLA GAL GLC 0.416667 0.848485
108 MTT 0.416667 0.848485
109 GLC BGC BGC BGC 0.416667 0.848485
110 GLC GLC BGC 0.416667 0.848485
111 CEY 0.416667 0.848485
112 B4G 0.416667 0.848485
113 CE8 0.416667 0.848485
114 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
115 GAL FUC 0.416667 0.848485
116 DXI 0.416667 0.848485
117 GLC BGC GLC 0.416667 0.848485
118 CT3 0.416667 0.848485
119 GAL GAL GAL 0.416667 0.848485
120 GLC GLC GLC GLC GLC 0.416667 0.848485
121 BGC BGC BGC BGC 0.416667 0.848485
122 BGC BGC BGC 0.416667 0.848485
123 BGC BGC GLC 0.416667 0.848485
124 CEX 0.416667 0.848485
125 GLC GAL GAL 0.416667 0.848485
126 BGC GLC GLC GLC GLC 0.416667 0.848485
127 GLC BGC BGC 0.416667 0.848485
128 GS1 GLC GS1 0.408163 0.8
129 SGC SGC BGC 0.408163 0.8
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 TRE 0.405405 0.848485
135 NDG 0.404762 0.7
136 NGA 0.404762 0.7
137 NAG 0.404762 0.7
138 HSQ 0.404762 0.7
139 A2G 0.404762 0.7
140 BM3 0.404762 0.7
141 FUB AHR AHR 0.4 0.764706
142 AHR AHR AHR AHR AHR AHR 0.4 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AJ4; Ligand: ANP; Similar sites found with APoc: 105
This union binding pocket(no: 1) in the query (biounit: 2aj4.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2DPY ADP 1.59817
2 3COB ADP 1.62602
3 3DZD ADP 1.63043
4 2OG2 MLI 1.67131
5 1YQT ADP 1.67286
6 5YV5 ADP 1.6791
7 1OXV ANP 1.69972
8 3B9Q MLI 1.98676
9 4PPF FLC 2
10 2YPI PGA 2.02429
11 4FRZ ADP 2.07254
12 2D7D ADP 2.18978
13 4BQS ADP 2.27273
14 4BQS K2Q 2.27273
15 4AG5 ADP 2.29592
16 2AWN ADP 2.3622
17 2IS6 ADP 2.37226
18 2RGX AP5 2.42718
19 4Z7X 3CX 2.52101
20 3NHB ADP 2.55474
21 2FSH ANP 2.55474
22 2VVG ADP 2.57143
23 5LB3 ADP 2.69663
24 5EYW PGA 2.81124
25 5J60 FAD 2.8125
26 4IHQ ADP 2.92398
27 1V8K ANP 2.92683
28 4TQK NAG 2.95567
29 1B0U ATP 3.05344
30 3A4M ADP 3.07692
31 3RC3 ANP 3.10219
32 2Y65 ADP 3.28767
33 1RRC ADP 3.32226
34 5F1V 3VN 3.7037
35 1F9V ADP 3.7464
36 2XT3 ADP 3.77907
37 4WZ6 ATP 3.7931
38 2CBZ ATP 3.79747
39 2PZE ATP 3.93013
40 3LRE ADP 3.94366
41 4YDS ATP 3.94737
42 1BG2 ADP 4
43 5TSH ANP 4.0146
44 5TSH ADP 4.0146
45 3EZ2 ADP 4.27136
46 3CQ5 PMP 4.33604
47 2WHX ADP 4.37956
48 2HIM ASN 4.46927
49 3UIE ANP 4.5
50 1LVG ADP 4.54545
51 5H4S RAM 4.57746
52 3DC4 ADP 4.65116
53 1QXA GLY GLY GLY 4.68085
54 2OFW ADX 4.80769
55 2KIN ADP 5
56 5O2Z FLC 5.04202
57 1G6H ADP 5.05837
58 5F90 LMR 5.12821
59 5ZXD ATP 5.12821
60 4PX9 ADP 5.13699
61 3BP1 GUN 5.17241
62 1OJ4 ANP 5.30035
63 2WW4 ADP 5.30035
64 5GVR LMR 5.55556
65 5CK5 GDP 5.6962
66 1H74 ILE 5.74324
67 1H74 ADP 5.74324
68 5C2N NAG 6.25
69 1JJV ATP 6.31068
70 2W58 ADP 6.43564
71 3LN9 FLC 6.47482
72 4NTM 2K8 6.61157
73 1R0X ATP 6.64336
74 3TMK T5A 6.94444
75 4U00 ADP 7.37705
76 3H4S ADP 7.40741
77 1GOJ ADP 7.60563
78 2R42 FPS 7.8481
79 3OCP CMP 7.91367
80 2CDN ADP 7.9602
81 4YMZ 13P 8.36653
82 3AB4 THR 8.42697
83 2V2V V12 9.22509
84 4QM7 GTP 9.35672
85 1T5C ADP 9.45559
86 2JBH 5GP 9.77778
87 3GON ANP 9.85075
88 1P0Z FLC 9.92366
89 1JJ7 ADP 10
90 4UTG ANP 10.4015
91 5O74 GDP 11.6667
92 1U3G ADP 12.1693
93 2X7I CIT 12.3377
94 1TL2 NDG 13.1356
95 4KFU ACP 13.2075
96 4R2I ANP 13.3333
97 3KIF GDL 16.0377
98 4LFL TG6 16.0494
99 3K7S R52 17.3184
100 5LWY OLB 17.6471
101 5V6F MAN BMA MAN 19.5652
102 1SQL GUN 22.6027
103 3KIH GDL 22.6804
104 4YMU ATP 24.0909
105 3IWD M2T 33.871
Pocket No.: 2; Query (leader) PDB : 2AJ4; Ligand: GLA; Similar sites found with APoc: 58
This union binding pocket(no: 2) in the query (biounit: 2aj4.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1U2Z SAH 1.38568
2 5VN0 FAD 1.9305
3 5XFV FMN 2.09581
4 3RUV ANP 2.57827
5 5U5G NAP 2.71186
6 3OJF NDP 2.72374
7 3OJF IMJ 2.72374
8 5XU2 8EL 2.91971
9 5XU2 TPP 2.91971
10 5XU2 F6R 2.91971
11 4IDT T28 3.08989
12 6C0T EE4 3.17003
13 2WW5 CHT 3.20513
14 4UXH T5A 3.26087
15 1LOJ URI 3.44828
16 1LOJ U 3.44828
17 4WZH FMN 3.45821
18 2R5N TPP 3.46715
19 2R5N RP5 3.46715
20 2R5N R5P 3.46715
21 1GTE FMN 3.64964
22 1GTE IUR 3.64964
23 1TKB N1T 3.64964
24 2C42 PYR 3.83212
25 2C42 TPP 3.83212
26 2VZ6 FEF 3.83387
27 4X7Q 3YR 3.84615
28 5BO9 SIA GAL NGS 4.33437
29 1T8U A3P 4.41176
30 1LDN NAD 4.43038
31 1F76 FMN 4.46429
32 1WA5 GTP 4.56204
33 5NQR 958 4.56621
34 1NJR XYL 4.57746
35 1O9P MLA 4.58937
36 2IXE ATP 5.16605
37 3OIX FMN 5.21739
38 2Z48 A2G 5.32407
39 3OTI TYD 5.52764
40 2CJU PHX 5.78512
41 3GC8 B45 6.21622
42 2FR3 REA 6.56934
43 5FUW THM 6.59341
44 1JQI FAD 6.95876
45 1HFE CYS 7.31707
46 1XVB BHL 7.64706
47 2OI2 DP6 7.87671
48 2XRH NIO 9
49 2X61 CH 9.30233
50 3GON PMV 9.85075
51 4UTG ANP 10.4015
52 3MJY FMN 13.0058
53 3MJY IJZ 13.0058
54 2WUF KEM 13.7457
55 4Q5M ROC 14.2857
56 3WBF API 14.7541
57 6MDE MEV 15.1815
58 5LJ0 6XX 22.3077
Pocket No.: 3; Query (leader) PDB : 2AJ4; Ligand: ANP; Similar sites found with APoc: 23
This union binding pocket(no: 3) in the query (biounit: 2aj4.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 6H3O FAD 0.912409
2 3M0J OAF 1.30293
3 6A20 ADP 1.60183
4 3HQP OXL 1.60321
5 2NCD ADP 1.66667
6 3CV6 HXS 2.16718
7 3CV6 NAP 2.16718
8 2HXW FLC 2.95359
9 2PL3 ADP 3.38983
10 2NU8 COA 3.81944
11 1UJ2 C5P 4.7619
12 1UJ2 ADP 4.7619
13 2D2F ADP 5.2
14 1KNR FAD 5.65693
15 4EN4 GT1 5.76923
16 4EN4 ATP 5.76923
17 4EN4 GT0 5.76923
18 1Y13 BIO 8.28729
19 4WAS COO 9.06593
20 2FJK 13P 10.4918
21 1PTR PRB 12
22 1ZUI SKM 13.0952
23 4KU7 PCG 15.6863
Pocket No.: 4; Query (leader) PDB : 2AJ4; Ligand: GLA; Similar sites found with APoc: 26
This union binding pocket(no: 4) in the query (biounit: 2aj4.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5WS9 AMP 1.05263
2 5WS9 ATP 1.05263
3 5BRE 4UZ 1.83727
4 5LGA 6VH 2
5 1QM5 GLC GLC GLC PO4 SGC GLC 2.37226
6 2FLI DX5 2.72727
7 5UIU 8CG 2.73723
8 5TO8 7FM 2.83688
9 4DO1 ANN 2.92683
10 1F8G NAD 3.38542
11 2IHT TPP 3.4904
12 1UPA TPP 3.4904
13 4WOP CTP 3.55556
14 2WQQ CSF 3.78007
15 2P2V CSF 3.81944
16 4JWH SAH 3.83387
17 6APL C5P 4.01069
18 2Z48 NGA 5.32407
19 4ZCC FAD 5.95238
20 1L7N AF3 7.109
21 3H78 BE2 7.79944
22 3G6N MET ALA SER 7.8534
23 1RO7 CSF 8.88031
24 4OOP DUP 13.253
25 3WBF NAP 14.7541
26 3U7S 017 20.202
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