Receptor
PDB id Resolution Class Description Source Keywords
4IAE 2.05 Å EC: 4.6.1.2 CRYSTAL STRUCTURE OF BAY 60-2770 BOUND TO NOSTOC H-NOX DOMAI NOSTOC SP. ACTIVATION HNOX DOMAIN HEME BINDING NO BINDING LYASE
Ref.: INSIGHTS INTO BAY 60-2770 ACTIVATION AND S-NITROSYLATION-DEPENDENT DESENSITIZATION OF SOLUBL GUANYLYL CYCLASE VIA CRYSTAL STRUCTURES OF HOMOLOGO H-NOX DOMAIN COMPLEXES. BIOCHEMISTRY V. 52 3601 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1DX A:201;
B:201;
Valid;
Valid;
none;
none;
submit data
623.634 C35 H33 F4 N O5 c1cc(...
MLI B:202;
A:202;
A:203;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
102.046 C3 H2 O4 C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4IAE 2.05 Å EC: 4.6.1.2 CRYSTAL STRUCTURE OF BAY 60-2770 BOUND TO NOSTOC H-NOX DOMAI NOSTOC SP. ACTIVATION HNOX DOMAIN HEME BINDING NO BINDING LYASE
Ref.: INSIGHTS INTO BAY 60-2770 ACTIVATION AND S-NITROSYLATION-DEPENDENT DESENSITIZATION OF SOLUBL GUANYLYL CYCLASE VIA CRYSTAL STRUCTURES OF HOMOLOGO H-NOX DOMAIN COMPLEXES. BIOCHEMISTRY V. 52 3601 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4JQH - 1MF C40 H39 N O6 c1ccc(cc1)....
2 4IAE - 1DX C35 H33 F4 N O5 c1cc(ccc1C....
3 3L6J - Z90 C36 H39 N O5 c1ccc(cc1)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4JQH - 1MF C40 H39 N O6 c1ccc(cc1)....
2 4IAE - 1DX C35 H33 F4 N O5 c1cc(ccc1C....
3 3L6J - Z90 C36 H39 N O5 c1ccc(cc1)....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4JQH - 1MF C40 H39 N O6 c1ccc(cc1)....
2 4IAE - 1DX C35 H33 F4 N O5 c1cc(ccc1C....
3 3L6J - Z90 C36 H39 N O5 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1DX; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 1DX 1 1
2 1MF 0.557522 0.88
3 Z90 0.518182 0.843137
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4IAE; Ligand: 1DX; Similar sites found: 426
This union binding pocket(no: 1) in the query (biounit: 4iae.bio3) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KPE TM3 0.000197 0.52934 None
2 3S9K CIT 0.01271 0.48149 None
3 2QLX RM4 0.002781 0.47951 None
4 1ULE GLA GAL NAG 0.004373 0.47659 None
5 1JGS SAL 0.01623 0.46905 None
6 1TUV VK3 0.02203 0.44573 None
7 4K30 NLG 0.008213 0.43877 None
8 3UEC ALA ARG TPO LYS 0.02104 0.43453 None
9 4G28 0W8 0.009672 0.43079 None
10 3BY8 MLT 0.03376 0.42393 None
11 4F4S EFO 0.02006 0.42071 None
12 3EW2 BTN 0.01807 0.4185 None
13 3SJ0 DXC 0.0495 0.41528 None
14 1R4W GSH 0.017 0.41397 None
15 2BYC FMN 0.02028 0.41014 None
16 4R3L COA 0.01655 0.40361 None
17 4PNO U5P 0.02659 0.40006 None
18 1A8S PPI 0.0005368 0.47852 1.0582
19 4BPM GSH 0.003663 0.40507 1.1236
20 4DN8 BMA 0.01323 0.4392 1.28205
21 1RYI GOA 0.005857 0.50455 1.5873
22 4OYA 1VE 0.00007717 0.42629 1.5873
23 2Y7G AAE 0.00649 0.42175 1.5873
24 3F81 STT 0.01608 0.45331 1.63934
25 1N9L FMN 0.004723 0.41994 1.83486
26 3LEO GSH 0.002022 0.40519 1.93548
27 2W3L DRO 0.0103 0.46398 2.08333
28 1JN2 SFP 0.03089 0.47278 2.1164
29 4RJK PYR 0.009744 0.45816 2.1164
30 1U5R ATP 0.0009677 0.45517 2.1164
31 2GJN FMN 0.001113 0.42246 2.1164
32 3LST SAH 0.01327 0.41269 2.1164
33 1LDM OXM 0.03117 0.40399 2.1164
34 1I2B UPG 0.00143 0.40226 2.1164
35 1I2B USQ 0.00143 0.40226 2.1164
36 1I2B NAD 0.00143 0.40226 2.1164
37 4CML 52N 0.003882 0.40013 2.1164
38 1C1L GAL BGC 0.02764 0.42842 2.18978
39 2IYG FMN 0.01139 0.41926 2.41935
40 1YRX FMN 0.01111 0.41591 2.47934
41 4M51 BEZ 0.007206 0.4651 2.6455
42 3PHQ KDO 0.03534 0.45007 2.6455
43 2ZI8 SDT 0.00009863 0.44658 2.6455
44 3O2K QRP 0.003843 0.44397 2.6455
45 4KGM ATP 0.003228 0.44261 2.6455
46 4AF5 CIT 0.0114 0.44242 2.6455
47 1F5F DHT 0.002375 0.43533 2.6455
48 3V1V GST 0.003201 0.43022 2.6455
49 2WL9 MBD 0.001107 0.42579 2.6455
50 4N14 WR7 0.01057 0.42356 2.6455
51 4IU0 ABH 0.002189 0.42206 2.6455
52 1G8S MET 0.03221 0.41996 2.6455
53 3O2K DST 0.02371 0.41731 2.6455
54 2BII MTV 0.002433 0.41717 2.6455
55 4NM5 ADP 0.003061 0.41683 2.6455
56 1GJW MAL 0.02068 0.41188 2.6455
57 4E13 NAD 0.005614 0.41045 2.6455
58 3VOZ 04A 0.01146 0.40833 2.6455
59 2YFT DQR 0.015 0.40699 2.6455
60 4P87 4NP 0.002953 0.40538 2.6455
61 3A2Y TS5 0.01647 0.40208 2.6455
62 4Q0A 4OA 0.01745 0.40011 2.6455
63 1V7R CIT 0.02008 0.45524 2.68817
64 1ECM TSA 0.0217 0.4149 2.75229
65 2Q37 3AL 0.01474 0.43173 2.76243
66 1KDK DHT 0.0009509 0.43505 2.82486
67 2O66 FLC 0.03065 0.41639 2.96296
68 1XX4 BAM 0.0002747 0.5107 3.1746
69 1I0Z OXM 0.008657 0.46814 3.1746
70 2ZO9 MLI 0.001064 0.4657 3.1746
71 4HE2 AMP 0.00006053 0.44612 3.1746
72 2Z9V PXM 0.006743 0.44275 3.1746
73 3I0O ADP 0.004401 0.4414 3.1746
74 2Q3M MLA 0.03854 0.43222 3.1746
75 1Z4V DAN 0.008121 0.42553 3.1746
76 3LPF Z77 0.0007243 0.42546 3.1746
77 1JCM 137 0.000591 0.42205 3.1746
78 1Z45 GAL 0.01992 0.42085 3.1746
79 1X1T NAD 0.00003894 0.41893 3.1746
80 2VQ5 HBA 0.04417 0.41786 3.1746
81 1CKM GTP 0.01876 0.41777 3.1746
82 3NFZ 3NF 0.01245 0.4176 3.1746
83 4LHM AZZ 0.02985 0.41694 3.1746
84 1Z45 UPG 0.006297 0.41513 3.1746
85 2VAR AMP 0.01911 0.41339 3.1746
86 2VAR KDG 0.01716 0.41163 3.1746
87 2WIC GNP 0.003194 0.41148 3.1746
88 3FSY SCA 0.0002715 0.41084 3.1746
89 3DG6 MUC 0.01518 0.41025 3.1746
90 4LIT AKG 0.04148 0.41001 3.1746
91 4NVP 7CH 0.0004495 0.40871 3.1746
92 2NCD ADP 0.04504 0.40826 3.1746
93 4EPL JAI 0.01604 0.40581 3.1746
94 1Q6O LG6 0.01641 0.4054 3.1746
95 1UNB AKG 0.0001387 0.4034 3.1746
96 2VAR ANP 0.009796 0.40155 3.1746
97 2Q1W NAD 0.001574 0.4007 3.1746
98 1QY1 PRZ 0.008275 0.40425 3.44828
99 2OFE NAG 0.01431 0.43752 3.52113
100 2OFD NGA 0.02911 0.42216 3.52113
101 1ZS6 ADP 0.02375 0.41311 3.5503
102 1B55 4IP 0.02404 0.4019 3.5503
103 1Z42 HBA 0.005211 0.4978 3.7037
104 3L24 GOA 0.003129 0.49243 3.7037
105 4MOB ADP 0.0002852 0.47406 3.7037
106 4W6Z ETF 0.008645 0.46817 3.7037
107 4EPM AMP 0.0001799 0.45683 3.7037
108 2Q09 DI6 0.004219 0.44703 3.7037
109 1EB9 HBA 0.002803 0.44522 3.7037
110 1WNG SAH 0.00114 0.43969 3.7037
111 4MOB COA 0.00002712 0.43348 3.7037
112 1AUA BOG 0.01126 0.4324 3.7037
113 2J5S KTA 0.002905 0.42807 3.7037
114 1Z48 FMN 0.004597 0.42782 3.7037
115 1FWY UD1 0.0002534 0.42426 3.7037
116 1Z42 FMN 0.008704 0.42424 3.7037
117 1Z41 FMN 0.0076 0.41898 3.7037
118 1HV9 UD1 0.000382 0.41896 3.7037
119 3SHR CMP 0.01608 0.41669 3.7037
120 1Z44 FMN 0.01431 0.41131 3.7037
121 3JQ3 ADP 0.02469 0.40848 3.7037
122 2JAR UMP 0.009847 0.40763 3.7037
123 1SZO CAX 0.03908 0.40658 3.7037
124 4N02 FNR 0.00003812 0.40489 3.7037
125 4USS GSH 0.0477 0.40302 3.7037
126 3P0F BAU 0.01887 0.40293 3.7037
127 1A27 NAP 0.002231 0.40122 3.7037
128 2R14 FMN 0.004065 0.40081 3.7037
129 3MAG SAH 0.01265 0.40038 3.7037
130 1Y1A GSH 0.02429 0.46562 3.82514
131 1RN8 DUP 0.001534 0.42254 3.94737
132 1GU3 BGC BGC BGC BGC BGC 0.007268 0.44124 4.02685
133 4QCK ASD 0.00005957 0.46515 4.2328
134 4M5P MLA 0.0179 0.45812 4.2328
135 2BZ1 TAU 0.02561 0.4571 4.2328
136 2OWZ CIT 0.005772 0.45703 4.2328
137 1WRA PC 0.00864 0.45436 4.2328
138 1O9U ADZ 0.02098 0.44691 4.2328
139 2Q8M AMP 0.00309 0.44342 4.2328
140 3D2Y AH0 ALA FGA LYS 0.001224 0.44251 4.2328
141 1XIU REA 0.001686 0.44119 4.2328
142 2VDJ HSE 0.0238 0.43752 4.2328
143 3KMR EQN 0.003481 0.43212 4.2328
144 4N69 SER 0.01935 0.431 4.2328
145 4M5P 23W 0.03287 0.43001 4.2328
146 3GJB AKG 0.0107 0.42881 4.2328
147 1K6M AGS 0.001457 0.4284 4.2328
148 3PLN U5P 0.01644 0.42474 4.2328
149 2ZX7 ZX7 0.0005143 0.41944 4.2328
150 2RL1 UD1 0.001388 0.41923 4.2328
151 3R9V DXC 0.0239 0.41914 4.2328
152 4M5P FMN 0.003266 0.4191 4.2328
153 3CKZ ZMR 0.00005397 0.4173 4.2328
154 2OWZ F6P 0.00774 0.41508 4.2328
155 2HFK E4H 0.0275 0.41429 4.2328
156 1E5F PLP 0.01084 0.41273 4.2328
157 3W8S GSH 0.03681 0.41253 4.2328
158 1T26 GBD 0.00046 0.40455 4.2328
159 1T26 NAI 0.00046 0.40455 4.2328
160 3KMZ EQO 0.005043 0.40039 4.2328
161 4IEN GDP 0.0002054 0.44167 4.29448
162 2YDW WSH 0.01253 0.42147 4.57516
163 3P3N AKG 0.006993 0.45291 4.7619
164 1G6O ADP 0.000184 0.44871 4.7619
165 3K3G MMU 0.006209 0.44702 4.7619
166 4WX0 HXD 0.001795 0.44433 4.7619
167 4M7F BM3 0.008304 0.43855 4.7619
168 1PX8 XYP 0.01179 0.43638 4.7619
169 1GPJ CIT 0.01821 0.43231 4.7619
170 4WBD ADP 0.02513 0.43056 4.7619
171 1EYQ NAR 0.01008 0.42998 4.7619
172 1P1M MET 0.001671 0.42626 4.7619
173 1OYB HBA 0.001079 0.41976 4.7619
174 4WVH ASP HIS ASP ALA HIS ALA 0.01751 0.41913 4.7619
175 1Y9Q MED 0.03411 0.41872 4.7619
176 1EDO NAP 0.00003464 0.41854 4.7619
177 3EE4 MYR 0.004732 0.41318 4.7619
178 2IZ1 ATR 0.04506 0.41264 4.7619
179 1TFZ 869 0.008154 0.40757 4.7619
180 4OJ8 AKG 0.009849 0.40448 4.7619
181 1SJD NPG 0.004933 0.40349 4.7619
182 4UAL 3FV 0.01556 0.40307 4.7619
183 3IU9 T07 0.000007242 0.40175 4.7619
184 2WA4 069 0.03079 0.40071 4.7619
185 4JCA CIT 0.004549 0.49225 4.79042
186 2V5E SCR 0.003174 0.5012 4.9505
187 1NU4 MLA 0.007575 0.43558 5.15464
188 2WCI GSH 0.04063 0.41044 5.18518
189 4LO6 SIA GAL 0.0004382 0.52479 5.29101
190 3VCA PRO 0.001603 0.4747 5.29101
191 3ZPG 5GP 0.007463 0.47169 5.29101
192 2ZJF BSU 0.002206 0.45453 5.29101
193 3BK2 U5P 0.002946 0.4443 5.29101
194 3K3K A8S 0.001122 0.43996 5.29101
195 4QDF 30Q 0.00024 0.43948 5.29101
196 4QDC ASD 0.0002826 0.43717 5.29101
197 1FX8 BOG 0.002185 0.43675 5.29101
198 2R40 EPH 0.0002127 0.43117 5.29101
199 1XE7 GUN 0.0476 0.42708 5.29101
200 3DGB MUC 0.01022 0.42126 5.29101
201 2YCD GTB 0.01031 0.4211 5.29101
202 1V6A TRE 0.02544 0.42031 5.29101
203 2JFV FLC 0.03646 0.41727 5.29101
204 1FP2 HMO 0.008537 0.41693 5.29101
205 3M31 FAD 0.00248 0.41687 5.29101
206 2NLI LAC 0.00002158 0.41632 5.29101
207 1FP2 SAH 0.01154 0.4152 5.29101
208 3SIX GDP 0.01837 0.41036 5.29101
209 3NJQ NJQ 0.002128 0.41006 5.29101
210 2NLI FMN 0.00003753 0.40898 5.29101
211 4HZO COA 0.04037 0.40644 5.29101
212 4BG1 IVL 0.007275 0.40631 5.29101
213 4BG1 OGA 0.007275 0.40631 5.29101
214 1K27 MTM 0.001295 0.40322 5.29101
215 1VE3 SAM 0.01322 0.40269 5.29101
216 2WK1 SAH 0.01033 0.40071 5.29101
217 2IMP NAI 0.0003575 0.40015 5.29101
218 3NGU ADP 0.00001072 0.54088 5.29801
219 4JHG ZEA 0.00702 0.42038 5.35714
220 4EXO PYR 0.005012 0.47345 5.47945
221 3QDT A2G GAL 0.01192 0.45351 5.59441
222 3QDY CBS 0.009847 0.45146 5.59441
223 3QDY A2G GAL 0.01582 0.44698 5.59441
224 1Y2W NAG 0.03681 0.41706 5.6338
225 2ZSC BTN 0.01354 0.41232 5.67376
226 2F59 INI 0.005402 0.41769 5.73248
227 4PB2 5UD 0.0004496 0.45923 5.82011
228 4C2G ALA ALA ALA ALA 0.002714 0.45566 5.82011
229 2BO4 FLC 0.01084 0.44933 5.82011
230 1NF8 BOG 0.008034 0.44788 5.82011
231 2YIV NBN 0.01776 0.43832 5.82011
232 4IXW IXW 0.007139 0.43674 5.82011
233 2R5T ANP 0.001739 0.42914 5.82011
234 4J7H TLO 0.001761 0.42895 5.82011
235 2BH9 NAP 0.0056 0.42435 5.82011
236 2YIV YIV 0.04349 0.42347 5.82011
237 4B9E FAH 0.035 0.42312 5.82011
238 2QF7 COA 0.007748 0.42241 5.82011
239 1VQ2 DDN 0.006372 0.41841 5.82011
240 1NF8 ISC 0.01254 0.41746 5.82011
241 3QP6 HL6 0.01036 0.41717 5.82011
242 3T1A 5MA 0.005696 0.41681 5.82011
243 4Q3S X7A 0.001345 0.41512 5.82011
244 4J7H TRH 0.005423 0.41424 5.82011
245 1KYZ SAH 0.006893 0.41361 5.82011
246 3PMA SCR 0.03328 0.4104 5.82011
247 2CJH AKG 0.01495 0.40705 5.82011
248 3FPZ AHZ 0.0001965 0.40643 5.82011
249 4OKD GLC GLC GLC 0.04541 0.40557 5.82011
250 2I7C AAT 0.001299 0.40064 5.82011
251 1WKL ADP 0.001388 0.44041 5.83942
252 1WKL ATP 0.00144 0.43979 5.83942
253 4OB6 S2T 0.01686 0.40493 5.8651
254 2HKA C3S 0.01501 0.40311 6.15385
255 2FR6 CTN 0.01237 0.40381 6.16438
256 1SJW NGV 0.004109 0.42979 6.25
257 1UW1 ADP 0.01956 0.42581 6.25
258 1QD0 RR6 0.01607 0.41285 6.25
259 1KYV RBF 0.007149 0.41644 6.28931
260 3SQG COM 0.006581 0.48307 6.34921
261 3ZGE ASP 0.007934 0.46289 6.34921
262 1O7N IND 0.0006825 0.44021 6.34921
263 3NBK PNS 0.0005968 0.41746 6.34921
264 3OYZ ACO 0.0002178 0.41345 6.34921
265 2RHQ GAX 0.004513 0.41077 6.34921
266 2Y7P SAL 0.03646 0.40853 6.34921
267 3VGL BGC 0.001832 0.40655 6.34921
268 3WAS BGC BMA 0.001209 0.40411 6.34921
269 3PNA CMP 0.006212 0.43946 6.49351
270 5DRN 5CT 0.01018 0.46812 6.51163
271 4C81 CDP 0.002525 0.42494 6.52174
272 1O68 KIV 0.0256 0.41575 6.54545
273 4NTX AMR 0.008233 0.44125 6.72269
274 4P9Z NMI PTR 02K ASN NH2 0.02046 0.4203 6.83761
275 1SQ5 PAU 0.0007994 0.48567 6.87831
276 3NOJ PYR 0.002297 0.46735 6.87831
277 2NZ2 ASP 0.003307 0.45711 6.87831
278 1A5Z OXM 0.01347 0.45068 6.87831
279 3QO8 SSA 0.002277 0.44016 6.87831
280 4JP3 CIT 0.005736 0.43197 6.87831
281 3LTW HLZ 0.01942 0.43092 6.87831
282 1SQ5 ADP 0.006377 0.43001 6.87831
283 2Q1A 2KT 0.001749 0.42556 6.87831
284 2F2U M77 0.01182 0.42259 6.87831
285 1T0S BML 0.046 0.42216 6.87831
286 3D3H M4O 0.007136 0.42009 6.87831
287 2CFU 1DB 0.003367 0.41861 6.87831
288 3AYS CT3 0.01732 0.41528 6.87831
289 3DX5 DHB 0.01764 0.41493 6.87831
290 1JH7 UVC 0.03586 0.41308 6.87831
291 1A5Z FBP 0.006314 0.41175 6.87831
292 1WDA BAG 0.028 0.40986 6.87831
293 1TH8 ADP 0.03602 0.4012 6.89655
294 5RHN 8BR 0.007471 0.41928 6.95652
295 3B9Z CO2 0.001722 0.48295 7.40741
296 4COQ SAN 0.003102 0.47034 7.40741
297 2QJN KDG 0.0008129 0.46303 7.40741
298 1TV5 N8E 0.00386 0.46075 7.40741
299 1TV5 A26 0.0003416 0.45099 7.40741
300 4O8A 2OP 0.02118 0.44669 7.40741
301 1TV5 ORO 0.003824 0.42908 7.40741
302 1J2Z SOG 0.004207 0.42743 7.40741
303 2QCX PF1 0.02993 0.41689 7.40741
304 5H94 LYS MET ASN THR GLN PHE THR ALA VAL 0.004178 0.41198 7.40741
305 2XNJ FAD 0.04167 0.40991 7.40741
306 3MMR ABH 0.002734 0.40933 7.40741
307 1TV5 FMN 0.0002613 0.40015 7.40741
308 3QP4 HL0 0.005535 0.42455 7.69231
309 1RZM E4P 0.004308 0.46981 7.93651
310 1RZM PEP 0.003924 0.45366 7.93651
311 2GN2 C5P 0.002324 0.43569 7.93651
312 4CCN OGA 0.02034 0.42993 7.93651
313 3W54 RNB 0.005712 0.42791 7.93651
314 5AYC BGC BMA 0.002845 0.41323 7.93651
315 1QO0 BMD 0.0453 0.41252 7.93651
316 3OCZ SRA 0.009472 0.41161 7.93651
317 4B8V NDG NAG NAG NAG 0.002719 0.40656 7.93651
318 3TI8 LNV 0.000254 0.40527 7.93651
319 1JQN DCO 0.000931 0.40486 7.93651
320 2PP3 LGT 0.02215 0.40339 7.93651
321 1DBT U5P 0.01508 0.40047 7.93651
322 1JOT GAL A2G 0.03295 0.40292 8.27068
323 1H8G CHT 0.03919 0.4459 8.42105
324 2Y6P CTP 0.0005299 0.4816 8.46561
325 3EJ0 11X 0.003354 0.45962 8.46561
326 2JC9 ADN 0.004121 0.45268 8.46561
327 4A8H PUW 0.0002125 0.43118 8.46561
328 4KCT FDP 0.01264 0.41731 8.46561
329 4PTZ FMN 0.006669 0.41416 8.46561
330 2XCG XCG 0.001367 0.4078 8.46561
331 1Y42 TYR 0.04343 0.40494 8.46561
332 1FW1 GSH 0.02251 0.4031 8.46561
333 1FBL HTA 0.033 0.40289 8.46561
334 1UO5 PIH 0.01119 0.47877 8.82353
335 1UO4 PIH 0.04091 0.43733 8.82353
336 3NKT 1HN 0.0001322 0.44974 8.99471
337 1N6B DMZ 0.00002649 0.4368 8.99471
338 3ZF8 GDP 0.005954 0.43565 8.99471
339 2PTR 2SA 0.0005747 0.42876 8.99471
340 4LKK SIA GAL 0.003735 0.42387 8.99471
341 2NVK NAP 0.01888 0.42194 8.99471
342 1E4E ADP 0.005312 0.41797 8.99471
343 1NHZ 486 0.003252 0.41589 8.99471
344 3OKI OKI 0.01211 0.40431 8.99471
345 1JSH SIA GAL 0.0058 0.40686 9.09091
346 1UCN ADP 0.01401 0.4117 9.21053
347 2YLD CMO 0.01608 0.43501 9.44882
348 3WSJ MK1 0.000008192 0.42078 9.48276
349 3CF6 SP1 0.007747 0.41864 9.52381
350 1VCO GLN 0.001677 0.41346 9.52381
351 3NKS ACJ 0.01319 0.40926 9.52381
352 1YHM AHD 0.04755 0.40711 9.52381
353 4KOA NDP 0.01255 0.40677 9.52381
354 4QN6 LNV 0.0004135 0.40462 9.52381
355 1F7K UMP 0.0008516 0.43141 9.55882
356 3PMD 11A 0.01291 0.42089 9.80392
357 2PR5 FMN 0.009447 0.40833 9.84848
358 3TDC 0EU 0.009302 0.447 10.0529
359 1PKK DCP 0.002081 0.42285 10.0529
360 1KTC NGA 0.02901 0.41321 10.0529
361 1EP2 FAD 0.004083 0.40927 10.0529
362 4G87 UD1 0.00006631 0.40389 10.0529
363 2IXB NAD 0.001575 0.40325 10.0529
364 3GM5 CIT 0.008624 0.44841 10.0629
365 3KMT SAH 0.004861 0.43082 10.084
366 4Q3F TLA 0.003725 0.46642 10.2564
367 3GTD MLI 0.0353 0.41342 10.582
368 1LC8 33P 0.001684 0.41341 10.582
369 1OGD RIP 0.005026 0.44868 10.687
370 1MQ0 BRD 0.02403 0.40191 10.7143
371 3ZZS TRP 0.0005727 0.40576 10.7692
372 1NXJ TLA 0.0001565 0.48445 10.929
373 1NXJ GLV 0.002989 0.45378 10.929
374 2HV8 GTP 0.006085 0.40036 10.9375
375 1Y75 NAG 0.0335 0.40631 11.0169
376 1DXY COI 0.02704 0.4408 11.1111
377 1ML4 PAL 0.0007159 0.43402 11.1111
378 4B4D FAD 0.002237 0.42513 11.1111
379 3MTW M3R 0.007282 0.41973 11.1111
380 1ZJ6 G3D 0.02182 0.40715 11.2299
381 4GGZ BTN 0.02855 0.40269 11.3043
382 3QV9 QV7 0.01631 0.42961 11.6402
383 2WMO GTP 0.01189 0.41467 11.6402
384 3CEV ARG 0.02673 0.41078 11.6402
385 3RF4 FUN 0.02868 0.41344 12.069
386 2HVK TBA 0.004257 0.46356 12.0968
387 1ZZ7 S0H 0.003489 0.45603 12.1693
388 3I8T LBT 0.005165 0.44813 12.1693
389 4U9W COA 0.01039 0.41001 12.1693
390 1JQI CAA 0.003724 0.40769 12.1693
391 2DWU DGL 0.005659 0.44129 12.3188
392 3KJQ B94 0.02003 0.40874 12.6316
393 1FWE HAE 0.006067 0.43993 12.6984
394 4E28 9MZ 0.01433 0.43748 12.6984
395 1Q11 TYE 0.01102 0.43284 12.6984
396 2YP9 SIA CMO 0.005804 0.42184 12.6984
397 3UUA 0CZ 0.01748 0.41719 12.6984
398 1T0I FMN 0.007023 0.4133 12.6984
399 3PXP MYR 0.008804 0.41286 12.6984
400 1LYX PGA 0.01534 0.41006 12.6984
401 1Q3P GLU ALA GLN THR ARG LEU 0.0207 0.41583 12.844
402 2XDQ MGX 0.009893 0.46494 13.2275
403 1F1V DHY 0.009706 0.43072 13.2275
404 1E2S CSN 0.006814 0.42473 13.2275
405 2OHV NHL 0.0236 0.41324 13.2275
406 4LCQ URQ 0.000272 0.43268 13.7566
407 3NNF AKG 0.04885 0.41087 13.7566
408 1F3L SAH 0.001548 0.42746 14.2857
409 2P69 PLP 0.0335 0.41451 14.2857
410 1SS4 GSH 0.02155 0.46045 14.3791
411 3BHO B4P 0.001512 0.51961 14.8148
412 2B7N NTM 0.008153 0.44406 14.8148
413 2IMF TOM 0.003708 0.40776 15.3439
414 2IMF GSH 0.003708 0.40776 15.3439
415 2GWD GLU 0.01606 0.42083 15.873
416 1XVA SAM 0.004523 0.41721 15.873
417 2Z5Y HRM 0.0005642 0.42269 16.4021
418 4GQB 0XU 0.00004098 0.4042 17.9894
419 4B16 NAG 0.002729 0.50495 18.5185
420 3P7I P7I 0.02586 0.41554 19.0476
421 1W7J ADP BEF 0.01383 0.40509 19.8675
422 3DER ALA LYS 0.0007675 0.44218 21.164
423 1BTN I3P 0.03457 0.44548 21.6981
424 2DTJ THR 0.00649 0.43401 22.4719
425 2C5S AMP 0.03692 0.40437 24.3386
426 3E81 SLB 0.008993 0.44202 26.8293
Pocket No.: 2; Query (leader) PDB : 4IAE; Ligand: 1DX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4iae.bio5) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4IAE; Ligand: 1DX; Similar sites found: 139
This union binding pocket(no: 3) in the query (biounit: 4iae.bio5) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4LN7 1ZQ 0.00252 0.43682 None
2 2C2A ADP 0.009574 0.41374 None
3 2BS5 BGC GAL FUC 0.004135 0.40573 None
4 1KYQ NAD 0.005307 0.42039 1.0582
5 3L02 SN0 0.0005956 0.41596 1.0582
6 3L02 CP 0.0005956 0.41596 1.0582
7 2YGO PCF 0.0001816 0.44111 1.06383
8 2ORV 4TA 0.00274 0.41477 1.5873
9 4M4Q 21A 0.004043 0.4089 1.5873
10 3MD0 GDP 0.04108 0.40434 1.5873
11 2QQ0 TMP 0.00241 0.40017 1.63043
12 2QQ0 ADP 0.00241 0.40017 1.63043
13 1Y7P RIP 0.001692 0.50096 2.1164
14 3PIJ FRU 0.006149 0.45231 2.1164
15 1UJ2 ADP 0.00141 0.4216 2.1164
16 1FNZ A2G 0.009494 0.40147 2.1164
17 4RJK TDL 0.002686 0.40122 2.1164
18 2GJ3 FAD 0.0001667 0.4008 2.5
19 1GJW GLC 0.01797 0.44027 2.6455
20 3GQT UFO 0.01597 0.41758 2.6455
21 4N7C AEF 0.009493 0.45458 2.84091
22 4J8T DOG 0.03126 0.40284 2.91971
23 1UNB PN1 0.00000419 0.43499 3.1746
24 3TFC PEP 0.01118 0.43484 3.1746
25 2HNK SAH 0.001861 0.43426 3.1746
26 3I0O SMI 0.01862 0.42906 3.1746
27 2GGH NLQ 0.0001741 0.42315 3.1746
28 1NYT NAP 0.00254 0.41292 3.1746
29 1VF1 GSH 0.009771 0.41007 3.1746
30 4KS1 2H8 0.0001576 0.4038 3.1746
31 1SG4 CO8 0.003917 0.40378 3.1746
32 2VEZ ACO 0.003195 0.4014 3.1746
33 4UYG 73B 0.02806 0.41665 3.18471
34 1Z44 NPO 0.008752 0.48748 3.7037
35 3MAG 3MA 0.02666 0.45029 3.7037
36 3I51 45C 0.003863 0.44174 3.7037
37 2YPO PHE 0.0003353 0.42947 3.7037
38 2WW2 SWA 0.02134 0.42084 3.7037
39 1HSR BHO 0.02939 0.41455 3.7037
40 2R14 TXD 0.001218 0.40925 3.7037
41 4W6Z 8ID 0.0006412 0.4071 3.7037
42 4ORR PE3 0.005062 0.40274 3.7037
43 3R51 MMA 0.03793 0.43472 3.75
44 4NAO AKG 0.007682 0.45932 4.2328
45 2Q8H TF4 0.0148 0.45754 4.2328
46 1B74 DGN 0.02366 0.43984 4.2328
47 2C9O ADP 0.0001267 0.43614 4.2328
48 3E8N VRA 0.00001771 0.42981 4.2328
49 1QPB TPP 0.0009471 0.42428 4.2328
50 1QPB PYM 0.001673 0.41607 4.2328
51 2E2R 2OH 0.0004391 0.41441 4.2328
52 1MOQ GLP 0.01024 0.40928 4.2328
53 3KO8 NAD 0.001184 0.407 4.2328
54 4M37 SAH 0.01016 0.40627 4.2328
55 4L1F COS 0.005986 0.40581 4.2328
56 1EJE FMN 0.01261 0.40576 4.2328
57 3FC2 IBI 0.002032 0.40501 4.2328
58 3SJ7 NDP 0.002478 0.40492 4.2328
59 1RHC F42 ACN 0.002758 0.40086 4.2328
60 4IEN COA 0.00008759 0.44096 4.29448
61 1I36 NAP 0.0009058 0.43847 4.7619
62 4WBD CIT 0.02657 0.43712 4.7619
63 4B7E OGA 0.02906 0.41966 4.7619
64 1EYE PMM 0.02013 0.41086 4.7619
65 4OJ8 2TQ 0.007238 0.40575 4.7619
66 1LL2 UPG 0.008911 0.40539 4.7619
67 3HAZ FAD 0.001963 0.4029 4.7619
68 1UF5 CDT 0.008205 0.43188 5.29101
69 3HB5 E2B 0.001955 0.41985 5.29101
70 4JK3 NAD 0.001494 0.41193 5.29101
71 4IMG NGF 0.01172 0.40391 5.29101
72 3I3X U22 0.00002307 0.40325 5.29101
73 1QZZ SAM 0.02526 0.40316 5.29101
74 3G6M CFF 0.04347 0.40046 5.29101
75 2Q28 ADP 0.008168 0.40988 5.31915
76 2C1Q BTN 0.0004586 0.40137 5.55556
77 4IHQ ADP 0.004226 0.44943 5.82011
78 2DT5 NAD 0.001901 0.40592 5.82011
79 2FOI JPA 0.03378 0.40457 5.82011
80 2JBH 5GP 0.04319 0.40334 5.82011
81 2FR6 URI 0.009757 0.4101 6.16438
82 2BOI MFU 0.04405 0.40674 6.19469
83 3TKA CTN 0.0001745 0.59059 6.34921
84 1QH9 LAC 0.009687 0.44822 6.34921
85 3HPF GAE 0.0005214 0.40965 6.34921
86 4L6C 0BT 0.006166 0.40828 6.34921
87 2EJU SAH 0.01507 0.40273 6.34921
88 3NCQ ATP 0.007653 0.40785 6.72269
89 2NZ2 CIR 0.0008211 0.42634 6.87831
90 4TMK T5A 0.000149 0.41774 6.87831
91 1O0S NAI 0.003377 0.41463 6.87831
92 4D7M TDC 0.002912 0.40807 6.87831
93 4ASJ N6A 0.005489 0.40715 6.87831
94 9LDT OXM 0.002628 0.50839 7.40741
95 2EB5 OXL 0.007071 0.45503 7.40741
96 1PEA ACM 0.009308 0.46153 7.93651
97 4JWX 1N4 0.03044 0.41436 7.93651
98 4C6F DOR 0.02156 0.41328 7.93651
99 4C6F NCD 0.02156 0.41328 7.93651
100 2RCN GDP 0.02814 0.40812 7.93651
101 1HKU NAD 0.002271 0.40096 7.93651
102 4KCT PYR 0.005137 0.44559 8.46561
103 3K9W ADE 0.0001603 0.41056 8.46561
104 3K9W 4PS 0.0001603 0.41056 8.46561
105 1MZV AMP 0.02571 0.40987 8.46561
106 1CBF SAH 0.02093 0.40329 8.46561
107 4F8L GAL 0.004219 0.50656 8.99471
108 1H16 PYR 0.01136 0.45691 8.99471
109 1UGX GAL MGC 0.001499 0.41189 9.02256
110 1Q3Q ANP 0.000004922 0.42114 9.52381
111 3CKJ CIT 0.001739 0.41551 9.52381
112 3ZEI AWH 0.001414 0.4127 9.52381
113 4DEC UDP 0.003403 0.40581 10.0529
114 4DEC 3PG 0.003403 0.40581 10.0529
115 3ZJQ NCA 0.01179 0.43573 10.582
116 1JQ5 NAD 0.0006102 0.40832 10.582
117 3RK0 AMP 0.02006 0.41092 11.1111
118 3S6T OAN 0.01523 0.40568 11.1111
119 2CE7 ADP 0.02464 0.40362 11.1111
120 1DXY NAD 0.004204 0.40276 11.1111
121 3SCH TB6 0.006089 0.45826 12.1693
122 4U9W SER GLY ARG GLY LYS NH2 0.01133 0.44211 12.1693
123 1KBI FMN 0.001021 0.42319 12.1693
124 1KBI PYR 0.001021 0.42319 12.1693
125 1C7S CBS 0.01975 0.41121 12.1693
126 1A59 CIT 0.008839 0.45618 13.7566
127 4AF0 MOA 0.003423 0.41141 13.7566
128 1R6W 164 0.01641 0.40764 14.2857
129 3L6R MLI 0.04008 0.42216 14.8148
130 2P8O BVA 0.01424 0.40685 16.4948
131 4OZJ ADP 0.00152 0.41169 16.7832
132 3O55 FAD 0.002089 0.4158 16.8
133 1H2M OGA 0.04218 0.41618 17.3077
134 2ZWS PLM 0.01762 0.46913 20.1058
135 2P2V CSF 0.00002609 0.40787 22.7513
136 2FYU FDN 0.01689 0.4008 22.7513
137 2FEQ 34P 0.008052 0.41674 27.7778
138 2HJ3 FAD 0.00432 0.41707 28
139 1SC3 MLI 0.01942 0.44444 34.0909
Pocket No.: 4; Query (leader) PDB : 4IAE; Ligand: 1DX; Similar sites found: 10
This union binding pocket(no: 4) in the query (biounit: 4iae.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4S1D 41M 0.04414 0.40381 2.6455
2 3A8H TAY 0.04562 0.40204 4.2328
3 4Z28 BTN 0.01365 0.42268 5.22388
4 5A5D 5LC 0.01285 0.43278 5.82011
5 5D1R 56S 0.01937 0.41114 6.34921
6 4REI 3MV 0.01983 0.42312 8.60927
7 4XBT 3ZQ 0.01707 0.4139 10.9677
8 5DX3 EST 0.009022 0.42772 12.6984
9 5UNJ RJW 0.01796 0.40581 14.2857
10 2YJD YJD 0.02166 0.40191 38.4615
Pocket No.: 5; Query (leader) PDB : 4IAE; Ligand: 1DX; Similar sites found: 6
This union binding pocket(no: 5) in the query (biounit: 4iae.bio2) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5LFV SIA GAL NAG 0.03746 0.40984 2.6455
2 4U98 ACP 0.02188 0.40389 3.7037
3 5J32 IPM 0.03364 0.41444 5.82011
4 3SHZ 5CO 0.03197 0.40585 6.87831
5 5HZX 2GE 0.04014 0.4007 11.9318
6 5LWY OLB 0.01254 0.41909 14.2857
Pocket No.: 6; Query (leader) PDB : 4IAE; Ligand: 1DX; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4iae.bio4) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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