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Receptor
PDB id Resolution Class Description Source Keywords
1WUU 2.5 Å EC: 2.7.1.6 CRYSTAL STRUCTURE OF HUMAN GALACTOKINASE COMPLEXED WITH MGAMPPNP AND GALACTOSE HOMO SAPIENS GALACTOSEMIA GHMP SUPERFAMILY KINASE TRANSFERASE
Ref.: MOLECULAR STRUCTURE OF HUMAN GALACTOKINASE: IMPLICATIONS FOR TYPE II GALACTOSEMIA J.BIOL.CHEM. V. 280 9662 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ANP A:395;
B:395;
C:395;
D:395;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
506.196 C10 H17 N6 O12 P3 c1nc(...
GLA A:393;
B:393;
C:393;
D:393;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
MG A:394;
B:394;
C:394;
D:394;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WUU 2.5 Å EC: 2.7.1.6 CRYSTAL STRUCTURE OF HUMAN GALACTOKINASE COMPLEXED WITH MGAMPPNP AND GALACTOSE HOMO SAPIENS GALACTOSEMIA GHMP SUPERFAMILY KINASE TRANSFERASE
Ref.: MOLECULAR STRUCTURE OF HUMAN GALACTOKINASE: IMPLICATIONS FOR TYPE II GALACTOSEMIA J.BIOL.CHEM. V. 280 9662 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 1WUU - 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 1WUU - GLA C6 H12 O6 C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1WUU - 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 : 1WUU; Ligand: ANP; Similar sites found with APoc: 114
This union binding pocket(no: 1) in the query (biounit: 1wuu.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 2D2F ADP 0.8
2 1JI0 ATP 1.25
3 5LB3 ADP 1.25313
4 5LV1 78T 1.42857
5 2WHX ADP 1.75439
6 1BG2 ADP 1.84615
7 4KFU ACP 1.88679
8 5CK5 GDP 1.89873
9 3LRE ADP 1.97183
10 3COB ADP 2.00501
11 5ME4 HP4 2.18978
12 4BFW ZVW 2.20126
13 3NHB ADP 2.28758
14 6CI9 F3V 2.3166
15 1G6H ADP 2.33463
16 2D24 XYS XYS 2.50627
17 1E5F PLP 2.50627
18 5A1S FLC 2.50627
19 1QXA GLY GLY GLY 2.55319
20 4B4Q A2G GAL NAG FUC GAL GLC 2.64901
21 2QZ4 ADP 2.67176
22 1AKY AP5 2.72727
23 2CE7 ADP 2.73109
24 5ZXD ATP 2.74725
25 2GK6 ADP 2.75689
26 4AG5 ADP 2.80612
27 4PPF FLC 2.85714
28 2B4B COA 2.92398
29 5GVR LMR 2.99145
30 2KIN ADP 3
31 2GCG NDP 3.00752
32 4XZ3 ACP 3.04348
33 2JK0 ASP 3.07692
34 4WZ6 ATP 3.10345
35 2XHK AKG 3.15315
36 2XT3 ADP 3.19767
37 3DC4 ADP 3.19767
38 5F90 LMR 3.20513
39 4FRZ ADP 3.25815
40 2W58 ADP 3.46535
41 4QM7 GTP 3.50877
42 2IS6 ADP 3.67647
43 1U3G ADP 3.7037
44 3EZ2 ADP 3.76884
45 2CBZ ATP 3.79747
46 1HTW ADP 3.79747
47 1B0U ATP 3.81679
48 2PZE ATP 3.93013
49 1OXV ANP 3.96601
50 4CCK OGA 4.01003
51 3TBK ANP 4.01003
52 1U1J MET 4.01003
53 2V2V V12 4.05904
54 2NU8 COA 4.16667
55 2DPY ADP 4.26065
56 2OG2 MLI 4.45682
57 2CDN ADP 4.47761
58 5U32 GDP 4.66102
59 1JJV ATP 4.85437
60 3DKP ADP 4.89796
61 2WW4 ADP 4.947
62 1RRC ADP 4.98339
63 3GON ANP 5.01253
64 5MZN ADP 5.01253
65 4P8K FAD 5.01253
66 4P8K 38C 5.01253
67 4R2I ANP 5.2381
68 4AUT FAD 5.26316
69 3B9Q MLI 5.29801
70 4U00 ADP 5.32787
71 3AJ4 SEP 5.35714
72 2AWN ADP 5.51181
73 2VVG ADP 5.51378
74 2FSH ANP 6.01504
75 1W1A NDG 6.22568
76 5JVB 2PO 6.42857
77 5TSH ADP 6.51629
78 5TSH ANP 6.51629
79 4YDS ATP 6.57895
80 2CJU PHX 6.61157
81 5N1P 8GK 6.79612
82 1H74 ADP 7.01754
83 1H74 ILE 7.01754
84 3LMS GLY 7.11974
85 3O5N BR0 7.14286
86 5O74 GDP 7.22222
87 4UTG ANP 7.22543
88 1T5C ADP 7.26817
89 2XYA 7L4 7.69231
90 4CVN ADP 7.8534
91 1GOJ ADP 7.88732
92 1XP8 AGS 7.9235
93 1TW4 CHD 8
94 2NCD ADP 8.02005
95 1JJ7 ADP 8.84615
96 1OJ4 ANP 9.18728
97 1TUK PGM 10.4478
98 4YMU ATP 10.9091
99 1GXU 2HP 10.989
100 3H4S ADP 11.1111
101 1LVG ADP 11.6162
102 5YV5 ADP 11.7794
103 1YQT ADP 11.7794
104 2WCU FUC 13.4228
105 5N0L ILE 13.8365
106 5V03 658 14.7651
107 3A4M ADP 15.3846
108 2WCV FUC 15.7143
109 2X7I CIT 23.0519
110 3ZIA ADP 23.8095
111 2R42 FPS 25.5696
112 3V2U ATP 28.5714
113 2A2C NG1 47.3684
114 2A2C ADP 47.3684
Pocket No.: 2; Query (leader) PDB : 1WUU; Ligand: GLA; Similar sites found with APoc: 134
This union binding pocket(no: 2) in the query (biounit: 1wuu.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 6AU6 GDP 1.32626
2 3OCP CMP 1.43885
3 1TV5 FMN 1.50376
4 5EZ7 FAD 1.53061
5 5GVH FMN 1.59236
6 1CX4 CMP 1.63934
7 2GJ8 ALF GDP 1.74419
8 4ZG4 VO4 ADP 1.75439
9 3EYA TDP 1.75439
10 1R4A GNP 1.81818
11 1PVN MZP 1.8617
12 6BKA FMN 1.87166
13 3H4L ANP 1.90736
14 1ZCB GDP 1.9337
15 4PFW MAN MAN BMA BMA BMA BMA 2.00501
16 1OZH HE3 2.00501
17 5YSE BGC BGC BGC GLC 2.01511
18 1JQI FAD 2.06186
19 2X1L ADN 2.09924
20 6C2Z P1T 2.13333
21 5CB3 APR 2.18579
22 3KJS DQ1 2.25564
23 3KJS NAP 2.25564
24 3EWP APR 2.25989
25 1UDY CS8 2.27273
26 1UDY FAD 2.27273
27 1EGD FAD 2.27273
28 4CNK MEU 2.30179
29 2FAH GDP 2.30263
30 3OF1 CMP 2.43902
31 5X8G S0N 2.50627
32 2RL1 UD1 2.50627
33 3SIG AR6 2.52708
34 4JB1 FAD 2.64706
35 4JB1 NAP 2.64706
36 3X44 PUS 2.71084
37 1UPT GTP 2.75689
38 3PC3 P1T 2.75689
39 4QC6 30N 2.7933
40 4RJK TPP 3.00752
41 4IOK ADP 3.00752
42 3PFD FDA 3.05344
43 3DFR NDP 3.08642
44 1NE6 SP1 3.18021
45 3ZEI AWH 3.22581
46 2RCU BUJ 3.25815
47 5G57 6M5 3.25815
48 1O9P MLA 3.25815
49 1QZZ SAM 3.25815
50 4X8O AP5 3.27103
51 3CX8 GSP 3.44828
52 5OJI ISN 3.46154
53 5OJI NAP 3.46154
54 1NJR XYL 3.50877
55 5UAO FAD 3.50877
56 1Z06 GNP 3.7037
57 1H5S TMP 3.75427
58 1H5T TYD 3.75427
59 4LIK CIT 3.7594
60 5FSY AR6 3.7594
61 2X0K PPV 3.84615
62 5KBF CMP 3.98671
63 1SQA UI1 4.08163
64 5O2T GSP 4.14201
65 4IQY AR6 4.26065
66 1L7N ALF 4.2654
67 3MAX LLX 4.35967
68 2PK3 GDD 4.6729
69 3HGM ATP 4.7619
70 1U2Z SAH 4.7619
71 5C8W PCG 4.8951
72 1RP0 AHZ 4.92958
73 3GON PMV 5.01253
74 3ZS9 ADP ALF 5.26316
75 2WOJ ADP ALF 5.26316
76 5TCI 79V 5.43478
77 4OI4 ATP 5.51378
78 4XGU ADP 5.51378
79 1YKI NFZ 5.52995
80 2IXE ATP 5.76441
81 5EXE 5SR 5.76441
82 4K81 GTP 5.84795
83 6G1P CIT 6
84 5KJZ PCG 6
85 1PVS 7HP 6.02837
86 2GAG FOA 6.06061
87 2ZAT NAP 6.15385
88 6BSX GDP 6.17978
89 1QF9 ADP 6.18557
90 1QF9 C5P 6.18557
91 1QF9 ALF 6.18557
92 3AFN NAP 6.20155
93 5O4J SAH 6.20438
94 5O4J 9KH 6.20438
95 2A5F GTP 6.21762
96 3I54 CMP 6.4257
97 3DOE GTP 6.77083
98 6GNF GLC 7.01754
99 2EC9 24X 7.04225
100 1YF4 CYS TYR PHE GLN ASN CYS PRO ARG GLY NH2 7.17489
101 4UTG ANP 7.22543
102 4KU7 PCG 7.84314
103 5K8S CMP 8.10811
104 3RYC GTP 8.39161
105 2J59 GTP 8.43373
106 1J2J GTP 8.43373
107 1O3Y GTP 8.43373
108 1IHU ADP 8.5213
109 1IHU AF3 8.5213
110 2PTM CMP 9.02256
111 1BGQ RDC 9.33333
112 3BIB PSF 9.48276
113 5GZ9 MAN 9.5082
114 5LW0 AR6 9.52381
115 1Q19 SSC 9.52381
116 1Q19 APC 9.52381
117 5Z2L NDP 9.79592
118 1O5I NAD 10.0402
119 1TU3 GNP 10.1266
120 5UPK GNP 10.4167
121 1JNR FAD 10.6667
122 3CIP ATP 11.7188
123 1Z83 AP5 14.2857
124 3I53 SAH 15.0602
125 2OI2 DP6 15.411
126 5EDE 5M6 15.873
127 2W83 GTP 22.0779
128 4OFG PCG 24.3056
129 3V2U GLA 28.5714
130 5NI5 8YB 33.3333
131 6MDE MEV 38.2838
132 6ESN BWE 41.6667
133 2A2C ADP 47.3684
134 2A2C NG1 47.3684
Pocket No.: 3; Query (leader) PDB : 1WUU; Ligand: GLA; Similar sites found with APoc: 31
This union binding pocket(no: 3) in the query (biounit: 1wuu.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1CDO NAD 1.60428
2 1WPY BTN 1.70213
3 1WG8 SAM 1.75439
4 4A62 ANP 1.875
5 2IVN ANP 2.12121
6 4B2D SER 2.50627
7 4EIL NDP 2.75689
8 1OFD FMN 2.75689
9 1OFD AKG 2.75689
10 2WLG SOP 2.7907
11 2JB2 PHE 3.00752
12 2JB2 FAD 3.00752
13 3GGO NAI 4.14013
14 3GGO ENO 4.14013
15 2VVL FAD 4.26065
16 1L7N AF3 4.2654
17 5TS5 FAD 4.7619
18 4NAT ADP 5
19 4NAT 2W5 5
20 1SG4 CO8 5
21 1KNY KAN 5.5336
22 1VLH PNS 5.78035
23 5OHJ 9VE 6.17577
24 1DL5 SAH 6.62461
25 3GWT 066 7.36544
26 5NQR 958 7.76256
27 1XON PIL 8.59599
28 2QA1 FAD 10.7769
29 3FUU ADN 12.5461
30 3RG9 NDP 14.1667
31 3RG9 WRA 14.1667
Pocket No.: 4; Query (leader) PDB : 1WUU; Ligand: ANP; Similar sites found with APoc: 30
This union binding pocket(no: 4) in the query (biounit: 1wuu.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 4XQM MAN None
2 3EYA FAD 1.75439
3 4AQ0 DMJ 1.75439
4 3ITJ CIT 2.00501
5 2GMM MAN MAN 2.38095
6 2GN3 MAN 2.38095
7 5YB7 ORN 2.50627
8 5YB7 FAD 2.50627
9 5DNU KKN 2.90909
10 4GN8 ASO 3.01003
11 3P7I P7I 3.11526
12 4X1B MLI 3.25815
13 1HPG BOC ALA ALA PRO GLU 3.74332
14 1RYO OXL 3.97554
15 5O2J 2PO 4.01003
16 4AML GYU 4.09357
17 2UVO NDG 4.09357
18 5H4S RAM 4.22535
19 2O66 FLC 4.44444
20 1OGD RIP 4.58015
21 1LK7 DER 4.80349
22 1KNM LAT 5.26316
23 1OH2 SUC 5.51378
24 2G2Y MLI 6.16883
25 4A34 FUL 7.48299
26 4TTQ ATP 7.90698
27 6BR8 PGV 8.73016
28 2ZQO NGA 10
29 2V7Q ADP 10.6061
30 4LO2 GAL BGC 18.2432
Pocket No.: 5; Query (leader) PDB : 1WUU; Ligand: ANP; Similar sites found with APoc: 20
This union binding pocket(no: 5) in the query (biounit: 1wuu.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 3EGI ADP 1.94175
2 5T8U LPA 1.94444
3 4LHD GLY 2.00501
4 5LTJ ADP 2.25564
5 4J4H NAI 2.3166
6 6F5W KG1 2.71003
7 4M52 M52 2.75689
8 5F90 GLA GAL 3.20513
9 5XG5 A2G 3.44828
10 2FJK 13P 4.59016
11 3F8D FAD 5.01253
12 4IV9 FAD 5.01253
13 5X80 SAL 5.625
14 5LQ8 GB 7.0922
15 1UKZ ADP 7.38916
16 5GVL GI8 8.02005
17 5GVL PLG 8.02005
18 3B5J 12D 8.23045
19 5IDB BMA 8.4507
20 2ALG DAO 8.69565
Pocket No.: 6; Query (leader) PDB : 1WUU; Ligand: ANP; Similar sites found with APoc: 11
This union binding pocket(no: 6) in the query (biounit: 1wuu.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 4YMZ 13P 1.99203
2 3GD8 GOL 2.69058
3 5V2L ATP 2.69461
4 4Z7X 3CX 3.78151
5 5TXR PLP 4.26065
6 1G8S MET 5.21739
7 1J5P NAD 5.5336
8 6APF CIT 5.69395
9 5AHO TLA 7.14286
10 5EYW PGA 9.63855
11 2C3H GLC GLC 10.2041
Pocket No.: 7; Query (leader) PDB : 1WUU; Ligand: GLA; Similar sites found with APoc: 17
This union binding pocket(no: 7) in the query (biounit: 1wuu.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZCC NAI 1.78571
2 4ZCC FAD 1.78571
3 4D79 ATP 2.00501
4 1UM0 FMN 2.19178
5 4XQC NAD 2.25564
6 3NY4 SMX 2.26415
7 3GBR PRP 2.31884
8 2F5Z FAD 2.75689
9 5BO9 CSF 2.78638
10 2H3H BGC 3.19489
11 1PNO NAP 3.33333
12 5XDT GDP 3.8961
13 3RNM FAD 5.17241
14 5WUW NAP 5.22648
15 1IDA 0PO 6.06061
16 6CHP F0Y 9.31677
17 6C28 WCA 15.0538
Pocket No.: 8; Query (leader) PDB : 1WUU; Ligand: GLA; Similar sites found with APoc: 4
This union binding pocket(no: 8) in the query (biounit: 1wuu.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3FPZ AHZ 3.98773
2 5I7A 68Q 4.90798
3 1N20 3AG 5.76441
4 1D4O NAP 15.2174
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