Receptor
PDB id Resolution Class Description Source Keywords
5D5A 2.48 Å EC: 3.2.1.17 IN MESO IN SITU SERIAL X-RAY CRYSTALLOGRAPHY STRUCTURE OF TH ADRENERGIC RECEPTOR AT 100 K HOMO SAPIENS, ENTEROBACTERIA PHAGE T4 MEMBRANE PROTEIN HYDROLASE MEMBRANE PROTEIN-HYDROLASE COMP
Ref.: IN MESO IN SITU SERIAL X-RAY CRYSTALLOGRAPHY OF SOL MEMBRANE PROTEINS AT CRYOGENIC TEMPERATURES. ACTA CRYSTALLOGR D STRUCT V. 72 93 2016 BIOL
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CAU A:1202;
Valid;
none;
submit data
298.379 C18 H22 N2 O2 CC(C)...
N9S A:1201;
Valid;
none;
submit data
342.296 C12 H22 O11 C([C@...
BU1 A:1203;
A:1204;
Invalid;
Invalid;
none;
none;
submit data
90.121 C4 H10 O2 C(CCO...
SO4 A:1215;
A:1212;
A:1211;
A:1216;
A:1214;
A:1213;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
CLR A:1206;
A:1208;
A:1207;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
386.654 C27 H46 O CC(C)...
ACM A:1205;
Invalid;
none;
submit data
59.067 C2 H5 N O CC(=O...
PLM A:1209;
Invalid;
none;
submit data
256.424 C16 H32 O2 CCCCC...
12P A:1210;
Invalid;
none;
submit data
546.646 C24 H50 O13 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2RH1 2.4 Å EC: 3.2.1.17 HIGH RESOLUTION CRYSTAL STRUCTURE OF HUMAN B2-ADRENERGIC G P COUPLED RECEPTOR. HOMO SAPIENS, ENTEROBACTERIA PHAGE T4 GPCR 7TM ADRENERGIC FUSION LIPIDIC CUBIC PHASE LIPIDICMESOPHASE CHOLESTEROL MEMBRANE PROTEIN MEMBRANE PROTEIN HYDROLASE COMPLEX STRUCTURAL GENOMICS PSI-2 PROTEIN STRUINITIATIVE ACCELERATED TECHNOLOGIES CENTER FOR GENE TO 3D STRUCTURE ATCG3D GPCR NETWORK
Ref.: HIGH-RESOLUTION CRYSTAL STRUCTURE OF AN ENGINEERED BETA2-ADRENERGIC G PROTEIN-COUPLED RECEPTOR. SCIENCE V. 318 1258 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 2RH1 - CAU C18 H22 N2 O2 CC(C)NC[C@....
2 5D5A - N9S C12 H22 O11 C([C@@H]1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2RH1 - CAU C18 H22 N2 O2 CC(C)NC[C@....
2 5D5A - N9S C12 H22 O11 C([C@@H]1[....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2RH1 - CAU C18 H22 N2 O2 CC(C)NC[C@....
2 5D5A - N9S C12 H22 O11 C([C@@H]1[....
3 3ODU - ITD C21 H34 N4 S2 CC1(CN2C(=....
4 5X93 ic50 = 150 nM K87 C36 H38 N6 O6 S Cc1cccc(c1....
5 4PHU Kd = 16 nM 2YB C29 H32 O7 S Cc1cc(cc(c....
6 5TZR - MLI C3 H2 O4 C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CAU; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 CAU 1 1
2 CVD 0.617284 0.763636
3 SNP 0.472222 0.844444
Ligand no: 2; Ligand: N9S; Similar ligands found: 339
No: Ligand ECFP6 Tc MDL keys Tc
1 LBT 1 1
2 GLC BGC 1 1
3 MAL MAL 1 0.970588
4 BGC GLC 1 1
5 CBI 1 1
6 GAL BGC 1 1
7 CBK 1 1
8 BGC BMA 1 1
9 N9S 1 1
10 GLA GLA 1 1
11 BGC GAL 1 1
12 GAL GLC 1 1
13 GLC GAL 1 1
14 BMA BMA 1 1
15 GLA GAL 1 1
16 BMA GAL 1 1
17 LAT 1 1
18 MAB 1 1
19 MAL 1 1
20 B2G 1 1
21 CEX 0.909091 1
22 BGC GLC GLC GLC GLC 0.909091 1
23 GLC GLC GLC GLC GLC 0.909091 1
24 CTR 0.909091 1
25 MTT 0.909091 1
26 CE5 0.909091 1
27 BMA BMA BMA BMA BMA 0.909091 1
28 CTT 0.909091 1
29 CT3 0.909091 1
30 GLC GLC GLC GLC GLC GLC GLC 0.909091 1
31 BGC GLC GLC GLC GLC GLC GLC 0.909091 1
32 BGC BGC BGC GLC 0.909091 1
33 CEY 0.909091 1
34 MAN MAN BMA BMA BMA BMA 0.909091 1
35 BMA BMA BMA 0.909091 1
36 B4G 0.909091 1
37 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.909091 1
38 GLC GAL GAL 0.909091 1
39 GLA GAL GLC 0.909091 1
40 GAL GAL GAL 0.909091 1
41 MAN BMA BMA BMA BMA 0.909091 1
42 MLR 0.909091 1
43 CE8 0.909091 1
44 MT7 0.909091 1
45 CE6 0.909091 1
46 GLC BGC BGC BGC BGC BGC 0.909091 1
47 GLC GLC BGC 0.909091 1
48 GLC BGC BGC 0.909091 1
49 GLC BGC GLC 0.909091 1
50 BMA MAN BMA 0.909091 1
51 GLC GLC BGC GLC GLC GLC GLC 0.909091 1
52 BGC GLC GLC 0.909091 1
53 BGC GLC GLC GLC 0.909091 1
54 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
55 DXI 0.909091 1
56 BMA BMA BMA BMA BMA BMA 0.909091 1
57 GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
58 GLC BGC BGC BGC BGC 0.909091 1
59 BGC BGC BGC BGC BGC BGC 0.909091 1
60 MAN BMA BMA 0.909091 1
61 MAN BMA BMA BMA BMA BMA 0.833333 0.970588
62 BMA BMA BMA BMA BMA BMA MAN 0.833333 0.970588
63 GLA GAL GAL 0.816327 1
64 GLA GAL BGC 0.816327 1
65 BGC BGC BGC BGC 0.754717 1
66 BGC BGC BGC BGC BGC BGC BGC BGC 0.754717 1
67 BMA BMA GLA BMA BMA 0.689655 1
68 LAT GLA 0.680851 1
69 GLC GLC GLC BGC 0.672414 1
70 BGC BGC GLC 0.660377 1
71 U63 0.647059 0.891892
72 DR5 0.64 0.942857
73 MMA MAN 0.64 0.942857
74 GLA EGA 0.634615 0.942857
75 BMA BMA MAN 0.615385 0.970588
76 GAL FUC 0.615385 0.941176
77 BGC BGC 0.612245 1
78 MAN MAN 0.612245 1
79 2M4 0.612245 1
80 GLC GAL FUC 0.610169 0.970588
81 GLC GLC GLC GLC GLC GLC 0.610169 1
82 FUC LAT 0.610169 0.970588
83 FUC GAL GLC 0.610169 0.970588
84 BGC GAL FUC 0.610169 0.970588
85 LAT FUC 0.610169 0.970588
86 BGC GLA GAL FUC 0.609375 0.970588
87 GAL NAG GAL BGC 0.606061 0.733333
88 LAT NAG GAL 0.606061 0.733333
89 GLC GLC BGC XYS BGC XYS 0.606061 0.942857
90 BGC GAL NAG GAL 0.606061 0.733333
91 MAN GLC 0.6 1
92 LB2 0.6 1
93 M3M 0.6 1
94 SGA BGC 0.6 0.702128
95 MAL EDO 0.592593 0.942857
96 BGC BGC BGC XYS GAL 0.588235 0.942857
97 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.588235 0.942857
98 GLC GAL NAG GAL 0.588235 0.733333
99 BGC BGC BGC XYS BGC BGC 0.588235 0.942857
100 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.588235 0.942857
101 NGA GAL BGC 0.587302 0.733333
102 TRE 0.581395 1
103 ABD 0.57971 0.75
104 NDG GAL 0.578947 0.733333
105 GAL NDG 0.578947 0.733333
106 5GO 0.578947 0.66
107 NLC 0.578947 0.733333
108 DEL 0.574074 0.970588
109 GAL NGA GLA BGC GAL 0.571429 0.733333
110 MVP 0.571429 0.733333
111 GAL BGC BGC XYS 0.569231 0.942857
112 GLC GLC FRU 0.569231 0.868421
113 BMA MAN 0.566038 0.914286
114 GLC GLC XYP 0.557377 1
115 BGC BGC XYS BGC 0.552239 0.942857
116 NAG GAL BGC 0.552239 0.733333
117 GLA GAL BGC 5VQ 0.551724 0.891892
118 G2F BGC BGC BGC BGC BGC 0.55 0.868421
119 GLA MBG 0.54902 0.942857
120 GLC ACI GLD GLC 0.547945 0.785714
121 GLC G6D ACI GLC 0.547945 0.785714
122 GLC ACI G6D BGC 0.547945 0.785714
123 GLC G6D ADH GLC 0.547945 0.785714
124 GLC BGC BGC BGC 0.545455 1
125 BGC BGC BGC ASO BGC BGC ASO 0.545455 1
126 GLC BGC BGC BGC BGC BGC BGC 0.545455 1
127 BGC BGC BGC 0.545455 1
128 BGC BGC BGC GLC BGC BGC 0.545455 1
129 BGC BGC BGC BGC BGC 0.545455 1
130 MAN MAN BMA 0.535714 1
131 NGA GLA GAL BGC 0.535211 0.733333
132 BMA MAN MAN 0.534483 1
133 GAL BGC BGC BGC XYS BGC XYS 0.533333 0.942857
134 BGC BGC BGC XYS BGC XYS GAL 0.533333 0.942857
135 GLC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
136 BGC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
137 BGC BGC XYS BGC XYS BGC XYS 0.528571 0.942857
138 GLA GAL GLC NBU 0.52459 0.846154
139 FUC BGC GAL 0.52459 0.970588
140 GLC ACI GLD GAL 0.519481 0.733333
141 GLC ACI G6D GLC 0.519481 0.733333
142 GLC GLC G6D ACI GLC GLC GLC 0.519481 0.785714
143 GLC BGC BGC BGC XYS BGC XYS XYS 0.513514 0.916667
144 DOM 0.509091 0.942857
145 GAL GAL SO4 0.508197 0.702128
146 DMU 0.507937 0.785714
147 LMT 0.507937 0.785714
148 LMU 0.507937 0.785714
149 G2I 0.507937 0.767442
150 G3I 0.507937 0.767442
151 OXZ BGC BGC 0.507937 0.6875
152 UMQ 0.507937 0.785714
153 GLC AGL GLC HMC 0.506329 0.717391
154 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.506329 0.942857
155 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.506329 0.942857
156 GAL BGC BGC BGC XYS XYS 0.506329 0.942857
157 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.506329 0.942857
158 GLC BGC BGC XYS BGC XYS XYS GAL 0.506329 0.942857
159 NAG GAL GAL 0.5 0.733333
160 SOR GLC GLC 0.5 0.970588
161 GAL GAL GLC EMB MEC 0.5 0.622642
162 FMO 0.5 0.868421
163 MAN BMA NAG 0.5 0.733333
164 GLA GAL NAG 0.5 0.733333
165 8VZ 0.5 0.673469
166 GLC GLC ACI G6D GLC GLC 0.493827 0.733333
167 GLC GLC AGL HMC GLC 0.493827 0.733333
168 GLC GLC DAF BGC 0.493827 0.733333
169 AAO 0.493827 0.733333
170 ARE 0.493827 0.733333
171 ACR GLC GLC GLC 0.493827 0.733333
172 GLC GLC XYS 0.492308 0.970588
173 CGC 0.491525 0.941176
174 5QP 0.491228 0.885714
175 MDM 0.490909 0.942857
176 RZM 0.490909 0.688889
177 M13 0.490909 0.942857
178 GAL MBG 0.490909 0.942857
179 GLC GLC GLC G6D ADH GLC 0.487805 0.6875
180 BGC BGC G2F SHG 0.485714 0.846154
181 MAN NAG GAL 0.485294 0.733333
182 GAL NAG MAN 0.485294 0.733333
183 6UZ 0.484848 0.846154
184 SOR GLC GLC GLC 0.484848 0.970588
185 LAG 0.484848 0.6
186 MAN MNM 0.482759 0.75
187 GAL BGC NAG GAL 0.478873 0.733333
188 10M 0.477612 0.733333
189 GTM BGC BGC 0.477612 0.868421
190 MAN MAN MAN MAN 0.476923 1
191 MAN MAN BMA MAN 0.476923 1
192 GLA GAL NAG FUC GAL GLC 0.47619 0.717391
193 NAG BMA 0.47619 0.653061
194 GAL NGA 0.47541 0.733333
195 GAL A2G 0.47541 0.733333
196 A2G GAL 0.47541 0.733333
197 BMA GLA 0.472727 1
198 LAK 0.472727 1
199 GAL GAL 0.472727 1
200 GLA GLC 0.472727 1
201 MLB 0.472727 1
202 GLA BMA 0.472727 1
203 BGC GLA 0.472727 1
204 MAN BMA 0.472727 1
205 GLA BGC 0.472727 1
206 NPJ 0.470588 0.622642
207 FUC GAL NAG GAL BGC 0.469136 0.717391
208 MAN MAN MAN GLC 0.46875 1
209 ABL 0.466667 0.702128
210 BMA FRU 0.465517 0.842105
211 FRU GAL 0.465517 0.842105
212 NOY BGC 0.465517 0.75
213 TM6 0.463768 0.916667
214 BGC SGC BGC SGC BGC SGC BGC SGC 0.463768 0.916667
215 LSE 0.462687 0.6875
216 GLA GLA FUC 0.460317 0.970588
217 FUC GAL GLA 0.460317 0.970588
218 GAL GAL FUC 0.460317 0.970588
219 GLA GAL FUC 0.460317 0.970588
220 FUC GLA GLA 0.460317 0.970588
221 DAF BGC 0.458333 0.785714
222 DAF GLC 0.458333 0.785714
223 IFM BMA 0.457627 0.744186
224 BGC OXZ 0.457627 0.666667
225 IFM BGC 0.457627 0.744186
226 BMA IFM 0.457627 0.744186
227 9MR 0.457627 0.744186
228 GLO GLC GLC 0.457143 0.942857
229 RCB 0.457143 0.622642
230 GLC GLC GLC GLC GLC BGC 0.45614 1
231 GLC GLC GLC 0.45614 1
232 GLC GLC GLC GLC BGC 0.45614 1
233 MAN MAN MAN 0.45614 1
234 GLC 0.454545 0.848485
235 BMA 0.454545 0.848485
236 GXL 0.454545 0.848485
237 WOO 0.454545 0.848485
238 GIV 0.454545 0.848485
239 GAL 0.454545 0.848485
240 MAN 0.454545 0.848485
241 BGC 0.454545 0.848485
242 ALL 0.454545 0.848485
243 GLA 0.454545 0.848485
244 GLC GLC GLC GLC 0.453125 1
245 MGL SGC GLC GLC 0.450704 0.868421
246 CM5 0.450704 0.891892
247 MAN MAN MAN BMA MAN 0.450704 1
248 BGC BGC SGC MGL 0.450704 0.868421
249 GLC DMJ 0.45 0.727273
250 A2G GAL BGC FUC 0.45 0.717391
251 GLC GLC GLC PO4 SGC GLC 0.45 0.673469
252 NOJ GLC 0.45 0.727273
253 PA1 GCS 0.448276 0.804878
254 GCS GCS 0.448276 0.804878
255 M5S 0.447761 1
256 MAN BMA MAN MAN MAN 0.447761 1
257 GLC GLC XYS XYS 0.447761 0.914286
258 DAF BGC GLC 0.447368 0.785714
259 TXT 0.447368 0.767442
260 GAC 0.447368 0.767442
261 DAF GLC GLC 0.447368 0.785714
262 ACI GLD GLC GAL 0.447368 0.785714
263 GLC GAL NAG GAL FUC FUC 0.447059 0.702128
264 BGC GAL NAG GAL FUC FUC 0.447059 0.702128
265 GAL NAG GAL NAG GAL NAG 0.445946 0.673469
266 NAG GAL GAL NAG GAL 0.445946 0.6875
267 NAG GAL GAL NAG 0.445946 0.6875
268 MA4 0.444444 0.891892
269 QV4 0.444444 0.733333
270 GLO GLC GLC GLC 0.444444 0.942857
271 MAN DGO 0.440678 0.914286
272 3SA 0.44 0.733333
273 Z6J 0.439024 0.742857
274 AHR 0.439024 0.742857
275 32O 0.439024 0.742857
276 FUB 0.439024 0.742857
277 RIB 0.439024 0.742857
278 T6P 0.438596 0.767442
279 GYP 0.4375 0.857143
280 AMG 0.4375 0.857143
281 MMA 0.4375 0.857143
282 MBG 0.4375 0.857143
283 4MU BGC BGC 0.434211 0.767442
284 ISX 0.433333 0.761905
285 MAN 7D1 0.431034 0.888889
286 QPS 0.43038 0.733333
287 ACR 0.43038 0.733333
288 4MU BGC BGC BGC BGC 0.428571 0.767442
289 GAL MGC 0.428571 0.702128
290 GAL NGA A2G 0.426471 0.673469
291 FUC NAG GAL 0.422535 0.717391
292 FUC NDG GAL 0.422535 0.717391
293 GAL NAG FUC 0.422535 0.717391
294 GAL NDG FUC 0.422535 0.717391
295 KHO 0.421053 0.888889
296 HMC AGL GLC 0.421053 0.717391
297 GCS GCS GCS GCS GCS 0.419355 0.804878
298 GCS GCS GCS GCS GCS GCS 0.419355 0.804878
299 GCS GCS GCS 0.419355 0.804878
300 GAL NAG GAL 0.418919 0.702128
301 GAL NGT 0.41791 0.66
302 P3M 0.41791 0.767442
303 NGT GAL 0.41791 0.66
304 ACR GLC GLC GLC GLC 0.417722 0.733333
305 ACR GLC 0.417722 0.733333
306 A2G GAL NAG FUC GAL GLC 0.417582 0.673469
307 GLC GAL NAG GAL FUC A2G 0.417582 0.673469
308 TUR 0.416667 0.842105
309 BTU 0.416667 0.842105
310 GLA MAN ABE 0.414286 0.916667
311 NAG NDG BMA 0.413333 0.634615
312 NAG NAG BMA 0.413333 0.634615
313 AHR AHR AHR 0.410714 0.857143
314 FUB AHR AHR 0.410714 0.857143
315 GLF B8D 0.409836 0.775
316 VAM 0.409836 0.868421
317 ACI G6D GLC ACI G6D BGC 0.409639 0.75
318 BGC GLC AC1 GLC GLC GLC AC1 0.409639 0.75
319 AC1 GLC AC1 BGC 0.409639 0.75
320 DAF GLC DAF GLC GLC 0.409639 0.75
321 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.409639 0.75
322 ACI GLD GLC ACI G6D BGC 0.409639 0.75
323 MAN MMA MAN 0.409091 0.942857
324 AHR AHR 0.407407 0.857143
325 FUB AHR 0.407407 0.857143
326 NAG BMA MAN MAN MAN MAN 0.407407 0.733333
327 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.406977 0.680851
328 4U0 0.406593 0.66
329 GLA MAN RAM ABE 0.405063 0.891892
330 BGC BGC SSG PIH 0.405063 0.767442
331 M1P 0.403846 0.697674
332 GL1 0.403846 0.697674
333 XGP 0.403846 0.697674
334 G1P 0.403846 0.697674
335 MAN IFM 0.403226 0.761905
336 GLC IFM 0.403226 0.761905
337 XZZ BGC BGC 0.402439 0.702128
338 ACG 0.402299 0.695652
339 FUC GAL 0.4 0.941176
Ligand no: 3; Ligand: CLR; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 CLR 1 1
2 HC3 0.807692 0.921053
3 HC9 0.666667 0.894737
4 Y01 0.638298 0.853659
5 HCD 0.58427 0.921053
6 HC2 0.58427 0.921053
7 5JK 0.573034 0.921053
8 HCR 0.573034 0.921053
9 2OB 0.560748 0.8
10 2DC 0.543478 0.829268
11 CLL 0.535714 0.8
12 PLO 0.529412 0.864865
13 K2B 0.494624 0.861111
14 XCA 0.46 0.829268
15 AND 0.44186 0.864865
16 0T9 0.432692 0.825
17 L39 0.428571 0.785714
18 DL4 0.407767 0.804878
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2RH1; Ligand: CLR; Similar sites found: 17
This union binding pocket(no: 1) in the query (biounit: 2rh1.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3HP9 CF1 0.02697 0.41557 1.86722
2 5VRH OLB 0.03554 0.40192 2
3 4UBS DIF 0.01105 0.42825 2.03562
4 1TV5 N8E 0.005499 0.45125 4.06321
5 2QES ADE 0.0376 0.40043 4.21456
6 3WFD AXO 0.0213 0.4276 4.79452
7 2YFB SIN 0.04319 0.40533 4.8
8 5V4R MGT 0.03315 0.40421 5.55556
9 4RW3 TDA 0.001123 0.44769 6.62252
10 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 0.03557 0.40045 7.8
11 4MGA 27L 0.04383 0.40333 7.84314
12 4V2O CLQ 0.01649 0.41353 9.7561
13 5OCA 9QZ 0.0001177 0.52816 10.084
14 3RV5 DXC 0.004246 0.49309 10.1124
15 4O4Z N2O 0.04978 0.40706 12.987
16 3WUR O4B 0.02162 0.4127 15.2047
17 3KP6 SAL 0.04527 0.40058 15.2318
Pocket No.: 2; Query (leader) PDB : 2RH1; Ligand: CAU; Similar sites found: 72
This union binding pocket(no: 2) in the query (biounit: 2rh1.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2Z9I GLY ALA THR VAL 0.03319 0.40031 1.54321
2 4MNP SLB 0.008814 0.40843 1.60256
3 1J78 OLA 0.00351 0.42851 1.74672
4 1GJW GLC 0.01594 0.40406 1.8
5 5J32 IPM 0.01124 0.41953 1.98511
6 4UBS DIF 0.01706 0.40871 2.03562
7 3I54 CMP 0.007904 0.40291 2.40964
8 3LXI CAM 0.01833 0.40764 2.61283
9 4ZOM 4Q3 0.02534 0.42222 2.66667
10 5E7V M7E 0.01635 0.40089 2.66667
11 3B1M KRC 0.005234 0.41287 2.82686
12 3GL0 HXX 0.002192 0.43673 2.86533
13 3W68 PBU 0.0223 0.40037 3.00752
14 3OND ADN 0.01994 0.41451 3.07377
15 4CYD CMP 0.008098 0.40244 3.11111
16 2Q8H TF4 0.0164 0.40572 3.1941
17 4ARE FLC 0.01136 0.40545 3.2
18 3FAL REA 0.007805 0.40692 3.30579
19 1I0B PEL 0.03831 0.40407 3.31325
20 1G6H ADP 0.01107 0.42345 3.50195
21 2Z77 NCA 0.001739 0.45742 3.59712
22 3AQT RCO 0.007755 0.43049 3.67347
23 2W9S TOP 0.02574 0.40114 3.72671
24 3O01 DXC 0.0001296 0.52203 3.8961
25 1YOK P6L 0.01732 0.40663 3.90625
26 3UPY FOM 0.01706 0.40906 4.04494
27 3EYK EYK 0.03014 0.41284 4.06977
28 2D5Z L35 0.009117 0.44713 4.10959
29 1ZPD CIT 0.01711 0.4078 4.22535
30 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.004626 0.443 4.34783
31 3FS1 MYR 0.005456 0.41011 4.34783
32 5M67 3D1 0.01696 0.41873 4.38413
33 5M67 NAD 0.01759 0.41796 4.38413
34 2CI5 HCS 0.01254 0.41321 4.57746
35 2IOY RIP 0.01815 0.40909 4.59364
36 2YFB SIN 0.02038 0.41501 4.8
37 1VR0 3SL 0.01424 0.40673 4.8583
38 2VWA PTY 0.01465 0.41926 4.9505
39 3TL1 JRO 0.007669 0.42483 5.03145
40 5L2J 6UL 0.04957 0.40338 5.10204
41 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.01818 0.40148 5.32787
42 4MUQ LY0 0.01488 0.40164 5.4902
43 4DNJ ANN 0.009728 0.41502 5.58252
44 4DO1 ANN 0.01958 0.40276 5.85366
45 4LH7 NMN 0.01987 0.40626 6.19195
46 3RLF MAL 0.01495 0.40569 6.41892
47 2DW7 SRT 0.01503 0.40558 6.6838
48 3WMX THR 0.01409 0.40595 6.70391
49 1J6W MET 0.01479 0.41222 6.85714
50 3SQP 3J8 0.007558 0.42994 7.2
51 1SBR VIB 0.02052 0.40311 7.5
52 3G3N TC8 0.02138 0.40013 7.54717
53 3G5D 1N1 0.03656 0.4044 7.69231
54 3PGL RZX 0.001388 0.45608 7.77778
55 3KO0 TFP 0.02661 0.40115 7.92079
56 2QE4 JJ3 0.007557 0.43675 8.06452
57 4WH9 3M8 0.00727 0.43348 8.19672
58 1OVD FMN 0.02434 0.40063 8.36013
59 4MN7 SME 0.01451 0.40217 8.72483
60 4V3I ASP LEU THR ARG PRO 0.01628 0.41304 9.72763
61 3RV5 DXC 0.001324 0.40313 10.1124
62 5L7G 6QE 0.008941 0.40419 10.4918
63 2WOR 2AN 0.007175 0.43026 11
64 1OUK 084 0.04378 0.41994 11.2022
65 1A05 IPM 0.0247 0.40124 12.5698
66 2HW2 RFP 0.004334 0.41827 13.2867
67 1ZOY UQ1 0.01052 0.42041 13.5922
68 1ZEI CRS 0.01422 0.41123 15.0943
69 3N7S 3N7 0.008469 0.43013 20
70 4N6H EJ4 0.00005244 0.5342 21.9807
71 2YJD YJD 0.006815 0.40579 26.25
72 5C1M 4VO 0.00008089 0.4695 34.1216
Pocket No.: 3; Query (leader) PDB : 2RH1; Ligand: CLR; 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: 2rh1.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2RH1; Ligand: CLR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2rh1.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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