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Receptor
PDB id Resolution Class Description Source Keywords
1ZNE 2 Å NON-ENZYME: TRANSPORT STRONG SOLUTE-SOLUTE DISPERSIVE INTERACTIONS IN A PROTEIN- LIGAND COMPLEX MUS MUSCULUS LIPOCALIN BETA-BARREL TRANSPORT PROTEIN
Ref.: STRONG SOLUTE-SOLUTE DISPERSIVE INTERACTIONS IN A PROTEIN-LIGAND COMPLEX. J.AM.CHEM.SOC. V. 127 17061 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CD A:198;
A:199;
A:200;
A:201;
A:202;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
112.411 Cd [Cd+2...
HE2 A:500;
Valid;
none;
submit data
102.175 C6 H14 O CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QY1 1.7 Å NON-ENZYME: TRANSPORT THERMODYNAMICS OF BINDING OF 2-METHOXY-3-ISOPROPYLPYRAZINE A METHOXY-3-ISOBUTYLPYRAZINE TO THE MAJOR URINARY PROTEIN MUS MUSCULUS LIPOCALIN BETA-BARREL MUP1 2-METHOXY-3-ISOBUTYLPYRAZINE PROTEIN
Ref.: THERMODYNAMICS OF BINDING OF 2-METHOXY-3-ISOPROPYLP AND 2-METHOXY-3-ISOBUTYLPYRAZINE TO THE MAJOR URINA PROTEIN. J.AM.CHEM.SOC. V. 126 1675 2004
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1ZNH - OC9 C8 H18 O CCCCCCCCO
2 1JV4 - TZL C7 H11 N S CC[C@@H](C....
3 1ZNE - HE2 C6 H14 O CCCCCCO
4 1ZNL - DE1 C10 H22 O CCCCCCCCCC....
5 2DM5 Kd = 1011.8 uM ODI C8 H18 O2 C(CCCCO)CC....
6 1QY1 Kd = 0.3 uM PRZ C9 H14 N2 O CC(C)Cc1c(....
7 1ZND - PE9 C5 H12 O CCCCCO
8 1ZNG - HE4 C7 H16 O CCCCCCCO
9 1QY2 Kd = 1.8 uM IPZ C8 H12 N2 O CC(C)c1c(n....
10 2NND Kd = 0.87 uM PRZ C9 H14 N2 O CC(C)Cc1c(....
11 1MUP - TZL C7 H11 N S CC[C@@H](C....
12 1YP6 Kd = 0.47 uM PRZ C9 H14 N2 O CC(C)Cc1c(....
70% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 1ZNH - OC9 C8 H18 O CCCCCCCCO
2 1JV4 - TZL C7 H11 N S CC[C@@H](C....
3 1ZNE - HE2 C6 H14 O CCCCCCO
4 1ZNL - DE1 C10 H22 O CCCCCCCCCC....
5 2DM5 Kd = 1011.8 uM ODI C8 H18 O2 C(CCCCO)CC....
6 1QY1 Kd = 0.3 uM PRZ C9 H14 N2 O CC(C)Cc1c(....
7 1ZND - PE9 C5 H12 O CCCCCO
8 1ZNG - HE4 C7 H16 O CCCCCCCO
9 1QY2 Kd = 1.8 uM IPZ C8 H12 N2 O CC(C)c1c(n....
10 2NND Kd = 0.87 uM PRZ C9 H14 N2 O CC(C)Cc1c(....
11 1MUP - TZL C7 H11 N S CC[C@@H](C....
12 1YP6 Kd = 0.47 uM PRZ C9 H14 N2 O CC(C)Cc1c(....
13 3KFG - HTX C7 H14 O CCCCCC(=O)....
14 3KFI - 25R C6 H8 N2 Cc1cnc(cn1....
15 3KFF - XBT C7 H13 N S CC[C@@H](C....
16 3KFH - 2EH C8 H18 O CCCC[C@H](....
17 1I06 - TZL C7 H11 N S CC[C@@H](C....
18 1I05 - LTL C8 H16 O2 CCC(=O)CCC....
50% Homology Family (32)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 174 families.
1 1PBO - SES C10 H18 N2 Se CCCCc1c([s....
2 1G85 Kd = 3.3 uM 3OL C8 H16 O CCCCC[C@H]....
3 1GT4 Kd = 0.3 uM UNA C11 H22 O CCCCCCCCCC....
4 1GT1 Kd = 1.2 uM 3OM C8 H16 O CCCCC[C@@H....
5 2HLV - LIK C12 H20 O2 CCCCC(=C)C....
6 1GT3 Kd = 1.2 uM 3OM C8 H16 O CCCCC[C@@H....
7 1GT5 Kd = 0.8 uM BZQ C13 H10 O c1ccc(cc1)....
8 1HN2 Kd = 3.3 uM 3OL C8 H16 O CCCCC[C@H]....
9 1JV4 - TZL C7 H11 N S CC[C@@H](C....
10 1ZNE - HE2 C6 H14 O CCCCCCO
11 1ZNL - DE1 C10 H22 O CCCCCCCCCC....
12 2DM5 Kd = 1011.8 uM ODI C8 H18 O2 C(CCCCO)CC....
13 1QY1 Kd = 0.3 uM PRZ C9 H14 N2 O CC(C)Cc1c(....
14 1ZND - PE9 C5 H12 O CCCCCO
15 1ZNG - HE4 C7 H16 O CCCCCCCO
16 1QY2 Kd = 1.8 uM IPZ C8 H12 N2 O CC(C)c1c(n....
17 2NND Kd = 0.87 uM PRZ C9 H14 N2 O CC(C)Cc1c(....
18 1MUP - TZL C7 H11 N S CC[C@@H](C....
19 1YP6 Kd = 0.47 uM PRZ C9 H14 N2 O CC(C)Cc1c(....
20 3KFG - HTX C7 H14 O CCCCCC(=O)....
21 3KFI - 25R C6 H8 N2 Cc1cnc(cn1....
22 3KFF - XBT C7 H13 N S CC[C@@H](C....
23 3KFH - 2EH C8 H18 O CCCC[C@H](....
24 1HQP - PRZ C9 H14 N2 O CC(C)Cc1c(....
25 1DZP ic50 = 3.6 uM BZQ C13 H10 O c1ccc(cc1)....
26 1E00 ic50 = 0.8 uM DHM C10 H20 O C[C@H](CCC....
27 1E06 ic50 = 2.5 uM IPB C10 H14 O Cc1ccc(c(c....
28 1DZJ ic50 = 1.3 uM SES C10 H18 N2 Se CCCCc1c([s....
29 1DZM ic50 = 3.9 uM BZM C14 H12 O2 c1ccc(cc1)....
30 1E02 ic50 = 0.7 uM UNA C11 H22 O CCCCCCCCCC....
31 1DZK Kd = 0.8 uM PRZ C9 H14 N2 O CC(C)Cc1c(....
32 1I05 - LTL C8 H16 O2 CCC(=O)CCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HE2; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 HE2 1 1
2 HE4 0.833333 0.952381
3 OC9 0.789474 0.952381
4 F09 0.789474 0.952381
5 O8N 0.789474 0.952381
6 DE1 0.789474 0.952381
7 1DO 0.789474 0.952381
8 PL3 0.789474 0.952381
9 PE9 0.705882 0.95
10 1BO 0.588235 0.8
11 HEZ 0.529412 0.625
12 ODI 0.5 0.625
13 B8M 0.4375 0.869565
14 POL 0.411765 0.65
15 BU1 0.411765 0.608696
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1QY1; Ligand: PRZ; Similar sites found with APoc: 609
This union binding pocket(no: 1) in the query (biounit: 1qy1.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL GLC None
2 4WVW SLT None
3 2BOS GLA GAL None
4 1WUB OTP None
5 3EW2 BTN None
6 5ACM MBT None
7 5FPX GLY SER SER HIS HIS HIS HIS HIS None
8 2WLG SOP None
9 5F6U 5VK None
10 2PR5 FMN None
11 1OGX EQU None
12 2ZHL NAG GAL GAL NAG None
13 1OGZ EQU None
14 1GUI BGC BGC BGC BGC BGC BGC None
15 3URB DPF None
16 2Z6C FMN None
17 5OO5 UUA None
18 2A4W BLM None
19 5SVV FMN None
20 5K21 6QF None
21 5W1E PHB None
22 4XTX 590 None
23 6E2B PT7 None
24 2X34 UQ8 None
25 2YJ0 420 None
26 1AUA BOG None
27 3IWD M2T None
28 2CBT TH2 None
29 6GG9 FMN 0.617284
30 3ORK AGS 1.14943
31 3MDV CL6 1.14943
32 3E85 BSU 1.26582
33 5N2D 8J8 1.38889
34 6HDT BTN 1.50376
35 5NIU 8YZ 1.5625
36 5N2F 8HW 1.6129
37 6GWR FEW 1.72414
38 5JIB OIA 1.72414
39 5FS0 5JC 1.72414
40 5KBE IPH 1.72414
41 4QTB 38Z 1.72414
42 5UWA 8ND 1.72414
43 1UNB AKG 1.72414
44 3SRV S19 1.72414
45 5BVE 4VG 1.72414
46 4H3Q ANP 1.72414
47 1VJY 460 1.72414
48 1UNB PN1 1.72414
49 3KA2 2NC 1.72414
50 1M5W DXP 1.72414
51 5B09 4MX 1.92308
52 2ZSC BTN 2.12766
53 2BYC FMN 2.18978
54 5BVS EIC 2.27273
55 3WG3 A2G GAL NAG FUC 2.29885
56 3T4L ZEA 2.29885
57 4L4J NAG NAG BMA MAN NAG 2.29885
58 5DBX ANP 2.29885
59 5NFB 8VT 2.29885
60 2X32 OTP 2.29885
61 3DAK ANP 2.29885
62 3W9R A8S 2.29885
63 1H8S AIC 2.29885
64 3E8N VRA 2.29885
65 3E8N ATP 2.29885
66 3QUG GIX 2.29885
67 4C2V YJA 2.29885
68 5LX9 OLB 2.29885
69 3GDN HBX 2.29885
70 1W8S FBP 2.29885
71 2HKA C3S 2.30769
72 1KNM LAT 2.30769
73 6D6L FY4 2.35294
74 2C1Q BTN 2.38095
75 2FTB OLA 2.4
76 1WW5 SGA BGC 2.5
77 3QRC SCR 2.54777
78 5A89 ADP 2.5641
79 5A89 FMN 2.5641
80 3RDO BTN 2.61438
81 1N5S ADL 2.67857
82 5DKK FMN 2.75862
83 5YJS SAL 2.87356
84 5GLT BGC GAL NAG GAL 2.87356
85 1U0A BGC BGC BGC BGC 2.87356
86 2GTF P1R 2.87356
87 5LUN OGA 2.87356
88 5OF1 SAL 2.87356
89 1M0W ANP 2.87356
90 5KWY C3S 2.87356
91 3ZJX BOG 2.87356
92 2Y6Q I7T 2.87356
93 1ZB6 GST 2.87356
94 1ZB6 DIN 2.87356
95 1NYW DAU 2.87356
96 5TUF TDC 2.87356
97 3VQ2 LP4 LP5 MYR DAO 2.87356
98 5LUN ARG 2.87356
99 3N0Y APC 2.87356
100 4ZU4 4TG 2.87356
101 1QIN GIP 2.87356
102 3ZDS OMD 2.87356
103 5HWO HMG 2.87356
104 4QAR ADE 2.87356
105 3O2K QRP 2.87356
106 3K5I ADP 2.87356
107 2Z77 HE7 2.8777
108 2WQN ADP 2.90323
109 3NX2 FER 2.97619
110 3SCH TB6 3.0303
111 1TT8 PHB 3.04878
112 3TAY MN0 3.06748
113 5HWV MBN 3.07692
114 4TW7 37K 3.125
115 4EKV BTN 3.14465
116 2WPU KYT 3.14465
117 5VGS 9A7 3.18471
118 3ZO7 K6H 3.19149
119 3VHH VHH 3.25203
120 3L5R 47X 3.27869
121 3KP6 SAL 3.31126
122 2E27 AB0 3.36134
123 3HCH RSM 3.42466
124 1GQG DCD 3.44828
125 5C3R HMU 3.44828
126 5C3R AKG 3.44828
127 1IND EOT 3.44828
128 6FOF LAT 3.44828
129 5W0N UPU 3.44828
130 5C5T AKG 3.44828
131 1T27 PCW 3.44828
132 2F57 23D 3.44828
133 2GWD GLU 3.44828
134 4P83 U5P 3.44828
135 2DIO EOD 3.44828
136 5A6N U7E 3.44828
137 2ZRU FMN 3.44828
138 3T1A 5MA 3.44828
139 5XHA FRU 3.44828
140 3UDZ ADP 3.44828
141 5DEY 59T 3.44828
142 5TV6 PML 3.44828
143 5EPA AKG 3.44828
144 3BXO UPP 3.44828
145 4NV7 COA 3.44828
146 4RFR RHN 3.44828
147 5VAD PRO 3.44828
148 1OFZ FUC 3.44828
149 1YKD CMP 3.44828
150 1U29 I3P 3.44828
151 3M2W L8I 3.44828
152 4O9S 2RY 3.44828
153 3H9A PPY 3.44828
154 5UIU 8CG 3.44828
155 5VC5 96M 3.44828
156 4UWJ MYA 3.44828
157 4UWJ 7L5 3.44828
158 2MPR BGC GLC GLC 3.44828
159 1MFI FHC 3.50877
160 1ZZ7 S0H 3.53535
161 3EM0 CHD 3.62319
162 2ARC ARA 3.65854
163 3I8T LBT 3.65854
164 4K6B GLU 3.72671
165 1SLT NDG GAL 3.73134
166 5N0L ILE 3.77358
167 1SWG BTN 3.90625
168 4BX7 B4F 3.90625
169 2F01 BTN 3.93701
170 2F01 BTQ 3.93701
171 4CPH LH4 3.93701
172 1WAP TRP 4
173 4KBA 1QM 4.02299
174 2JIG PD2 4.02299
175 4NPL AKG 4.02299
176 3WV6 GAL GLC 4.02299
177 5NBP BGC BGC BGC 4.02299
178 2GC0 PAN 4.02299
179 2OVW CBI 4.02299
180 4GCZ FMN 4.02299
181 1GP6 QUE 4.02299
182 1GP6 SIN 4.02299
183 1GP6 DH2 4.02299
184 2ZMF CMP 4.02299
185 4M8D 23J 4.02299
186 5X7Q GLC GLC GLC GLC GLC 4.02299
187 5X7Q GLC GLC GLC GLC 4.02299
188 3AVR OGA 4.02299
189 4FE2 AIR 4.02299
190 5M06 ADP 4.02299
191 3FW9 SLX 4.02299
192 4BPZ GLC BGC BGC 4.02299
193 1WRA PC 4.02299
194 5Z46 GST 4.02299
195 1LN1 DLP 4.02299
196 2GU8 796 4.02299
197 2WE0 UMP 4.02299
198 3WV6 GAL BGC 4.02299
199 2TPS TPS 4.02299
200 3E2M E2M 4.02299
201 5MRH Q9Z 4.02299
202 1MJJ HAL 4.02299
203 2QCS ANP 4.02299
204 4WB6 ATP 4.02299
205 3PUR 2HG 4.02299
206 3M94 M7M 4.02299
207 2YAJ 4HP 4.02299
208 2GQS C2R 4.02299
209 5INJ TRP 4.02299
210 4BFM ANP 4.02299
211 5XEG AKG 4.02299
212 4OCX MT1 4.02299
213 3E7O 35F 4.02299
214 3GLC R5P 4.02299
215 3TTY GLA 4.02299
216 5G1X ADP 4.02299
217 5D9G GLU ASN LEU TYR PHE GLN 4.02299
218 2AOT 2PM 4.02299
219 5LXB 7A9 4.02299
220 4LRJ ANP 4.14201
221 2E56 MYR 4.16667
222 4YGF AZM 4.2735
223 5O9W AKG 4.35967
224 1O4T OXL 4.51128
225 5H9Q TD2 4.51613
226 5LN8 GAL 4.58015
227 4RF7 ARG 4.5977
228 5DYO FLU 4.5977
229 1YFS ALA 4.5977
230 1OJJ GLC GAL 4.5977
231 1OJK GLC BGC 4.5977
232 1WKM MET 4.5977
233 4WHZ 3NL 4.5977
234 1SDW IYT 4.5977
235 3PFG TLO 4.5977
236 3PFG SAM 4.5977
237 1IA9 ANP 4.5977
238 2VQ5 HBA 4.5977
239 5KJW 53C 4.5977
240 3T64 DU3 4.5977
241 3B6R ADP 4.5977
242 4JX1 CAH 4.5977
243 3QSB 743 4.5977
244 5KO1 6UY 4.5977
245 5HCY 60D 4.5977
246 4CSD MFU 4.5977
247 4BG4 ADP 4.5977
248 5CPR 539 4.5977
249 2YKL NLD 4.5977
250 5W10 CMP 4.5977
251 6C7Y ADP 4.5977
252 3KC1 2T6 4.5977
253 5KD6 LBU 4.5977
254 2OJW ADP 4.5977
255 3ZZQ TRP 4.61538
256 3ZZS TRP 4.61538
257 4CQE CQE 4.67626
258 5ML3 DL3 4.69799
259 5FU3 BGC BGC BGC 4.71698
260 5G48 1FL 4.81283
261 1QKQ MAN 4.92958
262 5IXH OTP 4.96894
263 2CDO GAL AAL GAL AAL GAL AAL 5
264 2D6M LBT 5.03145
265 1Y2F WAI 5.03597
266 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 5.05051
267 3L9R L9Q 5.10204
268 3L9R L9R 5.10204
269 3DLG GWE 5.17241
270 3RGA LSB 5.17241
271 1F9V ADP 5.17241
272 4RUS NAG 5.17241
273 4HIA FMN 5.17241
274 3B00 16A 5.17241
275 4KYS VIB 5.17241
276 5EOB 5QQ 5.17241
277 5I0U DCY 5.17241
278 1VRP ADP 5.17241
279 2DXU BT5 5.17241
280 1U6R ADP 5.17241
281 6F9G PUT 5.17241
282 4M69 ANP 5.17241
283 2YOO K2B 5.17241
284 1SR9 KIV 5.17241
285 3F70 MLZ 5.17241
286 1WPY BTN 5.17241
287 2G3F IZC 5.17241
288 2YGO PCF 5.17241
289 5JZJ AN2 5.17241
290 4JNJ BTN 5.21739
291 3ZXE PGZ 5.26316
292 4ZSI 4R1 5.26316
293 4D52 GIV 5.39683
294 4D52 GXL 5.39683
295 4MNS 2AX 5.66038
296 5H9P TD2 5.6962
297 4X6F 3XU 5.71429
298 4MA6 28E 5.73248
299 4OCT AKG 5.74713
300 2XMY CDK 5.74713
301 2G30 ALA ALA PHE 5.74713
302 4ZS4 ATP 5.74713
303 5DRB 5FJ 5.74713
304 1Y7P RIP 5.74713
305 1OIJ AKG 5.74713
306 1K3A ACP 5.74713
307 4H69 10Y 5.74713
308 5J3Z 6FQ 5.74713
309 3VMG 9CA 5.74713
310 1USR SIA 5.74713
311 3I9U DTU 5.74713
312 2C49 ADN 5.74713
313 5IVE 6E8 5.74713
314 4YBN FAD 5.74713
315 2QFY AKG 5.74713
316 3JRS A8S 5.74713
317 2YGN PCF 5.76923
318 4RYV ZEA 5.80645
319 5TPV TYD 5.88235
320 5IXG OTP 5.91716
321 5C9J DAO 6.06061
322 3STK PLM 6.06061
323 5WL1 D3D 6.06061
324 5WL1 CUY 6.06061
325 5U98 1KX 6.06061
326 2AG4 OLA 6.09756
327 2AG4 LP3 6.09756
328 4WUJ FMN 6.12245
329 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 6.12245
330 5L8N 6RQ 6.25
331 3T50 FMN 6.25
332 4B1M FRU FRU 6.32184
333 4HPP GLU 6.32184
334 1ZM1 BGC BGC BGC 6.32184
335 4MOB ADP 6.32184
336 6CC0 EWM 6.32184
337 1ODM ASV 6.32184
338 4B2Z P5S 6.32184
339 4H2V AMP 6.32184
340 4XMF HSM 6.32184
341 3JQ3 ADP 6.32184
342 3MF2 AMP 6.32184
343 4H2X G5A 6.32184
344 4QM9 CYS 6.32184
345 3MI3 LYS 6.32184
346 4H6B 10Y 6.32184
347 2YNE YNE 6.32184
348 2YNE NHW 6.32184
349 4RFM 3P6 6.32184
350 5EO8 TFU 6.32184
351 4H6B 10X 6.32184
352 4ONA UW1 6.32184
353 2QPU QPS 6.32184
354 2HZQ STR 6.32184
355 2QPU QPU 6.32184
356 4H2W AMP 6.32184
357 3Q8G PEE 6.32184
358 4UHL VFV 6.32184
359 4H2W 5GP 6.32184
360 1Y52 BTN 6.34921
361 5AIG VPR 6.4
362 3IS2 FAD 6.49351
363 5TCI MLI 6.52174
364 4B1L FRU 6.66667
365 5TFZ 7BC 6.66667
366 3D72 FAD 6.71141
367 2AGC DAO 6.79012
368 3M3E GAL A2G NPO 6.8323
369 2V0U FMN 6.84932
370 2OG7 SIN 6.89655
371 5DJT FMN 6.89655
372 5JSP DQY 6.89655
373 5DJU FMN 6.89655
374 5EFW FMN 6.89655
375 4OPC PGT 6.89655
376 4OPC FDA 6.89655
377 6F6D AKG 6.89655
378 5HV0 AKG 6.89655
379 4CCN OGA 6.89655
380 3H5N ATP 6.89655
381 3KDJ A8S 6.89655
382 3ZGJ RMN 6.89655
383 5YBN AKG 6.89655
384 4Y3O OGA 6.89655
385 4J25 OGA 6.89655
386 3VSV XYP 6.89655
387 5JNN 6LM 6.89655
388 4BVA T3 6.89655
389 5H2U 1N1 6.89655
390 4M26 AKG 6.89655
391 3U6W KIV 6.89655
392 4CFS HQD 6.89655
393 4GGZ BTN 6.95652
394 4HN1 TYD 6.96517
395 5U9J GER 7.10059
396 4M1U A2G MBG 7.14286
397 4BCS BTN 7.2
398 3T2W BTN 7.37705
399 3HPY MCT 7.47126
400 1I82 BGC BGC 7.47126
401 2XK9 XK9 7.47126
402 1OFL NGK GCD 7.47126
403 1QFT HSM 7.47126
404 5LI1 ANP 7.47126
405 5LY1 PPI 7.47126
406 1ZHX HC3 7.47126
407 5LI9 ACP 7.47126
408 2R5V HHH 7.47126
409 3GD9 GLC BGC BGC BGC 7.47126
410 4HWT 1B2 7.47126
411 4U0W 16G 7.47126
412 2A1L PCW 7.47126
413 2YAB AMP 7.47126
414 4YMJ 4EJ 7.47126
415 2Q8E OGA 7.47126
416 3SSO SAH 7.47126
417 5NW7 9C2 7.47126
418 5F3I 5UJ 7.47126
419 3VV1 GAL FUC 7.5
420 5AYT L6Y 7.54717
421 2RIO ADP 7.60369
422 2Z6D FMN 7.69231
423 1FHW I5P 7.75194
424 2J73 GLC GLC GLC 7.76699
425 5UMY TNN 7.85714
426 4NG2 OHN 7.9646
427 6A63 LAT 7.97101
428 6FXR AKG 8.04598
429 6GW4 CHO 8.04598
430 4Z3E GAL NGA GLA BGC GAL 8.04598
431 6MPT C30 8.04598
432 5OES ADP 8.04598
433 1Y9Q MED 8.04598
434 1RQH PYR 8.04598
435 4P7X AKG 8.04598
436 4P7X YCP 8.04598
437 5J75 6GQ 8.04598
438 1LNM DTX 8.04598
439 3VRV YSD 8.04598
440 6GN6 GLC 8.04598
441 1QAW TRP 8.10811
442 1KJ1 MAN 8.25688
443 1MDC PLM 8.33333
444 5T7I LAT NAG GAL 8.3871
445 4K3H 1OM 8.47458
446 1WBI BTN 8.52713
447 3P7N FMN 8.62069
448 3JU6 ANP 8.62069
449 1Z03 OCH 8.62069
450 1MEX RAC 8.62069
451 4Y0X ADP 8.62069
452 5XQW 8EU 8.62069
453 2QJN KDG 8.62069
454 4WOE ADP 8.62069
455 6E1Q CFA 8.62069
456 3PG7 PTY 8.62069
457 3SHR CMP 8.62069
458 1ULE GLA GAL NAG 8.66667
459 4EES FMN 8.69565
460 4AZP A9M 8.69565
461 2YG2 S1P 8.72093
462 2YG2 FLC 8.72093
463 1TW4 CHD 8.8
464 4K55 H6P 8.87097
465 2BS5 BGC GAL FUC 8.88889
466 6F7X MFU 8.88889
467 2HFN FMN 9.15033
468 5L2R MLA 9.1954
469 4YVN EBS 9.1954
470 1NX4 AKG 9.1954
471 4GQP B40 9.1954
472 3GL0 HXX 9.1954
473 1VMK GUN 9.1954
474 4BKS X6C 9.25926
475 4R38 RBF 9.28571
476 4BJ8 BTN 9.52381
477 5OCG 9R5 9.77011
478 5MZI FYK 9.77011
479 5MZI FAD 9.77011
480 6E08 NAP 9.77011
481 5MOB A8S 9.77011
482 1OLM VTQ 9.77011
483 3ACL 3F1 9.77011
484 2PUL ACP 9.77011
485 4OJ8 AKG 9.77011
486 4DQ2 BTX 9.77011
487 5FAW CHT 9.77011
488 6FA4 D1W 9.82659
489 4Q5H ANP 10.2564
490 6GBV FMN 10.274
491 6CED EYA 10.2804
492 6D61 4AA 10.3448
493 1H2M OGA 10.3448
494 1H2K OGA 10.3448
495 4B7E OGA 10.3448
496 2Y0I AKG 10.3448
497 2XUM OGA 10.3448
498 5JWP AKG 10.3448
499 4D1J DGJ 10.3448
500 2WA4 069 10.3448
501 3P3N AKG 10.3448
502 3ZW2 NAG GAL FUC 10.3448
503 2Z3U CRR 10.3448
504 3H0L ADP 10.3448
505 3ZW0 FUC 10.3448
506 2NZ2 CIR 10.3448
507 3QP8 HL0 10.3448
508 4HSJ 6PC 10.3448
509 1IR3 ANP 10.3448
510 5BU3 4W9 10.3448
511 3EKK GS2 10.3448
512 5TBM 79A 10.4348
513 2QHV OC9 10.4762
514 3RUG DB6 10.9195
515 5I8T LAC 10.9195
516 1Y0G 8PP 10.9195
517 5FKP 6UL 10.9195
518 5H5A 6OU 10.9195
519 5L8L ADP 11.1111
520 4J36 1HR 11.4943
521 4WUP 3UF 11.4943
522 3QH2 3NM 11.4943
523 5LIA 6XN 11.4943
524 3RMK BML 11.4943
525 5ZM4 AKG 11.4943
526 4QDC ASD 11.4943
527 5LRT ADP 11.4943
528 4YLZ LAT NAG GAL 11.7647
529 1LSH PLD 12.069
530 5FLJ QUE 12.069
531 5OMY 9YE 12.069
532 3NNF AKG 12.069
533 2QL9 CIT 12.3711
534 4WO4 JLS 12.6437
535 3HUJ AGH 12.6437
536 2QHS OCA 12.6437
537 5CAD PCA 12.6437
538 1VA6 P2S 12.6437
539 1VA6 ADP 12.6437
540 4MPO AMP 13.0719
541 1SGJ OAA 13.2184
542 3GM5 CIT 13.2184
543 4F7E 0SH 13.2184
544 5BVB DOG 13.2184
545 2WKQ FMN 13.2184
546 4FFG 0U8 13.2184
547 4QDF 30Q 13.2184
548 6EOZ 58K 13.2184
549 2VD9 EPC 13.2184
550 6EOZ AKG 13.2184
551 4QXB OGA 13.2353
552 3MTX PGT 13.245
553 5BWD FUM 13.3333
554 4RD0 GDP 13.7931
555 3HQR OGA 13.7931
556 5OX6 A1Z 13.7931
557 1EWF PC1 13.7931
558 5L9B AKG 13.7931
559 5L9V OGA 13.7931
560 4G31 0WH 13.7931
561 1OBD ATP 13.7931
562 5HCA BGC 13.7931
563 1C1L GAL BGC 13.8686
564 5HZ9 5M8 14.0741
565 5YRJ BGC GLC 14.0845
566 4JH6 FCN 14.4928
567 6F5U CQN 14.881
568 1J3R 6PG 14.9425
569 2IF8 ADP 14.9425
570 5Z84 CHD 15.3061
571 3RWP ABQ 15.5172
572 5H9Y BGC BGC BGC BGC 15.5172
573 5LVP ATP 15.5172
574 5Y72 DST 15.5172
575 5A5W GUO 15.5172
576 1SU2 ATP 15.7233
577 5HA0 LTD 16.0256
578 5KEW 6SB 16.6667
579 4Y24 TD2 16.8831
580 4XIZ LPP 17.0588
581 2ET1 GLV 17.2414
582 2IUW AKG 17.2414
583 5NLD LBT 17.2662
584 3LVW GSH 17.8161
585 5XIO HFG 17.8161
586 3W68 VIV 18.3908
587 1NKI PPF 18.5185
588 3OYW TDG 18.6567
589 1GZW GAL BGC 18.6567
590 1W6O LAT 18.6567
591 1W6P NDG GAL 18.6567
592 5A3T MMK 20.1149
593 2P7Q GG6 20.3008
594 1W2D ADP 20.3774
595 4XCB AKG 22.9885
596 5XNA SHV 24.1379
597 4YZC STU 26.4368
598 1XE7 GUN 26.4368
599 5EPQ OLA 32.3171
600 4LIT AKG 33.3333
601 4QCK ASD 34.4828
602 2OVD DAO 36.2069
603 3CBC DBS 37.931
604 3SAO DBH 38.125
605 3SAO NKN 38.125
606 4ORR PE3 39.0805
607 6GR0 F8W 40.8046
608 4IAW LIZ 41.3793
609 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 43.6782
Pocket No.: 2; Query (leader) PDB : 1QY1; Ligand: PRZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1qy1.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1QY1; Ligand: PRZ; Similar sites found with APoc: 24
This union binding pocket(no: 3) in the query (biounit: 1qy1.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 6FMC DUE None
2 5FQK 6NT 3.44828
3 1OS7 AKG 3.44828
4 4WN5 MVC 3.47826
5 2R0H CTO 3.65854
6 4Z28 BTN 3.73134
7 1P0Z FLC 3.81679
8 2FCU AKG 4.02299
9 5INJ 6C7 4.02299
10 1SO0 GAL 4.5977
11 1VHW ADN 5.17241
12 4LCQ URQ 5.74713
13 6CZI 38E 6.25
14 1IS3 LAT 6.66667
15 4J7Q B7N 6.89655
16 3WUC GLC GAL 7.29927
17 5C8W PCG 9.09091
18 2B3B GLC 9.1954
19 4W9H 3JF 9.25926
20 4O12 2QG 10.3448
21 2FDW D3G 13.2184
22 5FUI APY 13.6364
23 5Y4K AKR 16.092
24 5NKN LOC 44.8276
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