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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: 333
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA GLA 1 1
2 GAL BGC 1 1
3 GLC GAL 1 1
4 BMA GAL 1 1
5 LBT 1 1
6 BGC GAL 1 1
7 CBI 1 1
8 MAL 1 1
9 CBK 1 1
10 BGC BMA 1 1
11 N9S 1 1
12 MAB 1 1
13 LAT 1 1
14 GLA GAL 1 1
15 B2G 1 1
16 BMA BMA BMA 0.909091 1
17 GLA GAL GLC 0.909091 1
18 GLC BGC BGC 0.909091 1
19 GLC BGC BGC BGC 0.909091 1
20 GLC GLC GLC GLC GLC 0.909091 1
21 CT3 0.909091 1
22 BGC GLC GLC GLC 0.909091 1
23 BGC BGC BGC BGC 0.909091 1
24 CTT 0.909091 1
25 CTR 0.909091 1
26 GLC GAL GAL 0.909091 1
27 MAN BMA BMA BMA BMA BMA 0.909091 1
28 BGC BGC BGC GLC 0.909091 1
29 CEY 0.909091 1
30 B4G 0.909091 1
31 BGC BGC BGC 0.909091 1
32 GLC GLC BGC 0.909091 1
33 CE5 0.909091 1
34 BGC BGC BGC BGC BGC BGC 0.909091 1
35 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.909091 1
36 BMA BMA BMA BMA BMA BMA 0.909091 1
37 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
38 GLA GAL BGC 0.909091 1
39 MLR 0.909091 1
40 MAN BMA BMA 0.909091 1
41 BGC GLC GLC GLC GLC GLC GLC 0.909091 1
42 BMA BMA BMA BMA BMA 0.909091 1
43 BGC BGC GLC 0.909091 1
44 MAN MAN BMA BMA BMA BMA 0.909091 1
45 BGC GLC GLC 0.909091 1
46 BGC BGC BGC BGC BGC 0.909091 1
47 MT7 0.909091 1
48 GLC BGC BGC BGC BGC 0.909091 1
49 CE6 0.909091 1
50 MTT 0.909091 1
51 CE8 0.909091 1
52 MAN BMA BMA BMA BMA 0.909091 1
53 GLC BGC GLC 0.909091 1
54 DXI 0.909091 1
55 GLC BGC BGC BGC BGC BGC 0.909091 1
56 CEX 0.909091 1
57 GAL GAL GAL 0.909091 1
58 BMA MAN BMA 0.909091 1
59 BGC GLC GLC GLC GLC 0.909091 1
60 GLA GAL GAL 0.816327 1
61 BGC BGC BGC BGC BGC BGC BGC BGC 0.754717 1
62 BMA BMA GLA BMA BMA 0.689655 1
63 XYT 0.685185 0.767442
64 LAT GLA 0.680851 1
65 GLC GLC GLC BGC 0.672414 1
66 U63 0.647059 0.891892
67 MMA MAN 0.64 0.942857
68 DR5 0.64 0.942857
69 GLA EGA 0.634615 0.942857
70 GAL FUC 0.615385 0.941176
71 2M4 0.612245 1
72 BGC GAL FUC 0.610169 0.970588
73 FUC GAL GLC 0.610169 0.970588
74 8B7 0.610169 0.970588
75 GLC GAL FUC 0.610169 0.970588
76 LAT FUC 0.610169 0.970588
77 BGC GLA GAL FUC 0.609375 0.970588
78 BQZ 0.608696 0.909091
79 BGC GAL NAG GAL 0.606061 0.733333
80 GAL NAG GAL GLC 0.606061 0.733333
81 BMA BMA BMA BMA 0.603448 0.941176
82 M3M 0.6 1
83 LB2 0.6 1
84 NGR 0.6 1
85 MAN GLC 0.6 1
86 MAL EDO 0.592593 0.942857
87 BGC BGC BGC XYS GAL 0.588235 0.942857
88 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.588235 0.942857
89 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.588235 0.942857
90 BGC BGC BGC XYS BGC BGC 0.588235 0.942857
91 LAT NAG GAL 0.588235 0.733333
92 GLC GAL NAG GAL 0.588235 0.733333
93 NGA GAL BGC 0.587302 0.733333
94 TRE 0.581395 1
95 ABD 0.57971 0.75
96 NLC 0.578947 0.733333
97 NDG GAL 0.578947 0.733333
98 GAL NDG 0.578947 0.733333
99 5GO 0.578947 0.66
100 DEL 0.574074 0.970588
101 MVP 0.571429 0.733333
102 GAL NGA GLA BGC GAL 0.571429 0.733333
103 GAL BGC BGC XYS 0.569231 0.942857
104 SGA BGC 0.568965 0.66
105 BGC BGC 0.566038 0.914286
106 BMA BMA 0.566038 0.914286
107 GLC GLC XYP 0.557377 1
108 BGC BGC XYS BGC 0.552239 0.942857
109 NAG GAL BGC 0.552239 0.733333
110 GLA GAL BGC 5VQ 0.551724 0.891892
111 G2F BGC BGC BGC BGC BGC 0.55 0.868421
112 GLA MBG 0.54902 0.942857
113 GLC ACI G6D BGC 0.547945 0.733333
114 GLC G6D ACI GLC 0.547945 0.733333
115 GLC ACI GLD GLC 0.547945 0.733333
116 GLC G6D ADH GLC 0.547945 0.733333
117 GLC BGC BGC BGC BGC BGC BGC 0.545455 1
118 BGC BGC BGC GLC BGC BGC 0.545455 1
119 BMA BMA MAN 0.535714 1
120 MAN MAN BMA 0.535714 1
121 NGA GLA GAL BGC 0.535211 0.733333
122 GAL BGC BGC BGC XYS BGC XYS 0.533333 0.942857
123 BGC BGC BGC XYS BGC XYS GAL 0.533333 0.942857
124 BGC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
125 BGC BGC XYS BGC XYS BGC XYS 0.528571 0.942857
126 GLC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
127 BMA MAN MAN MAN 0.525424 1
128 GLA GAL GLC NBU 0.52459 0.846154
129 FUC BGC GAL 0.52459 0.970588
130 GLC GLC G6D ACI GLC GLC GLC 0.519481 0.733333
131 GLC ACI GLD GAL 0.519481 0.702128
132 GLC ACI G6D GLC 0.519481 0.702128
133 BGC BGC BGC FRU 0.516129 0.868421
134 DOM 0.509091 0.942857
135 G3I 0.507937 0.767442
136 LMU 0.507937 0.785714
137 DMU 0.507937 0.785714
138 UMQ 0.507937 0.785714
139 OXZ BGC BGC 0.507937 0.6875
140 G2I 0.507937 0.767442
141 LMT 0.507937 0.785714
142 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.506329 0.942857
143 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.506329 0.942857
144 GAL BGC BGC BGC XYS XYS 0.506329 0.942857
145 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.506329 0.942857
146 GLC BGC BGC XYS BGC XYS XYS GAL 0.506329 0.942857
147 FMO 0.5 0.868421
148 MAN BMA NAG 0.5 0.733333
149 SOR GLC GLC 0.5 0.970588
150 GLA GAL NAG 0.5 0.733333
151 8VZ 0.5 0.673469
152 ACR GLC GLC GLC 0.493827 0.702128
153 GLC GLC DAF BGC 0.493827 0.702128
154 GLC GLC ACI G6D GLC GLC 0.493827 0.702128
155 ARE 0.493827 0.733333
156 GLC GLC AGL HMC GLC 0.493827 0.702128
157 AAO 0.493827 0.733333
158 GLC GLC XYS 0.492308 0.970588
159 MAN BMA MAN 0.491803 1
160 CGC 0.491525 0.941176
161 5QP 0.491228 0.885714
162 GAL MBG 0.490909 0.942857
163 MDM 0.490909 0.942857
164 RZM 0.490909 0.688889
165 M13 0.490909 0.942857
166 GAL NAG MAN 0.485294 0.733333
167 SOR GLC GLC GLC 0.484848 0.970588
168 GLO GLC GLC GLC 0.484848 0.970588
169 6UZ 0.484848 0.846154
170 LAG 0.484848 0.6
171 GAL BGC NAG GAL 0.478873 0.733333
172 GTM BGC BGC 0.477612 0.868421
173 10M 0.477612 0.733333
174 MAN MAN MAN MAN 0.476923 1
175 MAN MAN BMA MAN 0.476923 1
176 GLA GAL NAG FUC GAL GLC 0.47619 0.717391
177 GAL GAL SO4 0.47619 0.66
178 NAG BMA 0.47619 0.653061
179 GAL NGA 0.47541 0.733333
180 A2G GAL 0.47541 0.733333
181 GAL A2G 0.47541 0.733333
182 GLA BMA 0.472727 1
183 GLC BGC 0.472727 1
184 GAL GAL 0.472727 1
185 GLA GLC 0.472727 1
186 BGC GLA 0.472727 1
187 GAL GLC 0.472727 1
188 GLA BGC 0.472727 1
189 BMA GLA 0.472727 1
190 BMA MAN 0.472727 1
191 MAN MAN 0.472727 1
192 BGC GLC 0.472727 1
193 MLB 0.472727 1
194 GLC GLC 0.472727 1
195 MAN BMA 0.472727 1
196 LAK 0.472727 1
197 NPJ 0.470588 0.622642
198 FUC GAL NAG GAL BGC 0.469136 0.717391
199 GAL GLC NAG GAL FUC 0.469136 0.717391
200 GLC NAG GAL GAL FUC 0.469136 0.717391
201 MAN MAN MAN GLC 0.46875 1
202 ABL 0.466667 0.702128
203 FRU GAL 0.465517 0.842105
204 BMA FRU 0.465517 0.842105
205 DAF BGC 0.464789 0.733333
206 DAF GLC 0.464789 0.733333
207 TM6 0.463768 0.916667
208 BGC SGC BGC SGC BGC SGC BGC SGC 0.463768 0.916667
209 LSE 0.462687 0.6875
210 FUC GLA GLA 0.460317 0.970588
211 GAL GAL FUC 0.460317 0.970588
212 FUC GAL GLA 0.460317 0.970588
213 GLA GLA FUC 0.460317 0.970588
214 GLA GAL FUC 0.460317 0.970588
215 IFM BMA 0.457627 0.711111
216 9MR 0.457627 0.744186
217 IFM BGC 0.457627 0.711111
218 BMA IFM 0.457627 0.711111
219 BGC OXZ 0.457627 0.666667
220 RCB 0.457143 0.622642
221 GLO GLC GLC 0.457143 0.942857
222 MAN MAN MAN 0.45614 1
223 GLC GLC GLC GLC BGC 0.45614 1
224 GLC GLC GLC GLC GLC BGC 0.45614 1
225 BMA MAN MAN 0.45614 1
226 GLC GLC GLC 0.45614 1
227 WOO 0.454545 0.848485
228 GIV 0.454545 0.848485
229 BGC 0.454545 0.848485
230 ALL 0.454545 0.848485
231 GAL 0.454545 0.848485
232 GLA 0.454545 0.848485
233 GLC 0.454545 0.848485
234 GXL 0.454545 0.848485
235 BMA 0.454545 0.848485
236 MAN 0.454545 0.848485
237 ACI GLD GLC GAL 0.453333 0.733333
238 DAF BGC GLC 0.453333 0.733333
239 DAF GLC GLC 0.453333 0.733333
240 MGL SGC BGC BGC 0.450704 0.868421
241 MGL SGC GLC GLC 0.450704 0.868421
242 CM5 0.450704 0.891892
243 MAN MAN MAN BMA MAN 0.450704 1
244 BGC BGC SGC MGL 0.450704 0.868421
245 MAN MNM 0.45 0.702128
246 GLC DMJ 0.45 0.695652
247 A2G GAL BGC FUC 0.45 0.717391
248 NOJ GLC 0.45 0.695652
249 NOY BGC 0.45 0.702128
250 BMA MAN MAN MAN MAN 0.449275 1
251 GCS GCS 0.448276 0.767442
252 PA1 GCS 0.448276 0.767442
253 M5S 0.447761 1
254 MAN BMA MAN MAN MAN 0.447761 1
255 TXT 0.447368 0.767442
256 GAC 0.447368 0.767442
257 GLC GAL NAG GAL FUC FUC 0.447059 0.702128
258 BGC GAL NAG GAL FUC FUC 0.447059 0.702128
259 GAL NAG GAL NAG GAL NAG 0.445946 0.673469
260 NAG GAL GAL NAG GAL 0.445946 0.6875
261 NAG GAL GAL NAG 0.445946 0.6875
262 MA4 0.444444 0.891892
263 QV4 0.444444 0.733333
264 MAN DGO 0.440678 0.914286
265 3SA 0.44 0.733333
266 Z6J 0.439024 0.742857
267 GLC GLC GLC PO4 SGC GLC 0.439024 0.66
268 AHR 0.439024 0.742857
269 RIB 0.439024 0.742857
270 FUB 0.439024 0.742857
271 32O 0.439024 0.742857
272 T6P 0.438596 0.767442
273 MMA 0.4375 0.857143
274 MBG 0.4375 0.857143
275 GYP 0.4375 0.857143
276 AMG 0.4375 0.857143
277 MAN G63 0.435484 0.653061
278 GDQ GLC 0.435484 0.666667
279 4MU BGC BGC 0.434211 0.767442
280 ISX 0.433333 0.761905
281 MAN 7D1 0.431034 0.888889
282 ACR 0.43038 0.733333
283 QPS 0.43038 0.733333
284 GAL MGC 0.428571 0.702128
285 4MU BGC BGC BGC BGC 0.428571 0.767442
286 GAL NDG FUC 0.422535 0.717391
287 FUC NDG GAL 0.422535 0.717391
288 HMC AGL GLC 0.421053 0.717391
289 KHO 0.421053 0.888889
290 GCS GCS GCS 0.419355 0.767442
291 GCS GCS GCS GCS GCS 0.419355 0.767442
292 GCS GCS GCS GCS GCS GCS 0.419355 0.767442
293 GAL NAG GAL 0.418919 0.702128
294 NGT GAL 0.41791 0.66
295 GAL NGT 0.41791 0.66
296 P3M 0.41791 0.767442
297 GLC GAL NAG GAL FUC A2G 0.417582 0.673469
298 A2G GAL NAG FUC GAL GLC 0.417582 0.673469
299 TUR 0.416667 0.842105
300 BTU 0.416667 0.842105
301 GLC FRU 0.416667 0.842105
302 GLA MAN ABE 0.414286 0.916667
303 NAG NAG BMA 0.413333 0.634615
304 NAG NDG BMA 0.413333 0.634615
305 ACR GLC GLC GLC GLC 0.4125 0.702128
306 ACR GLC 0.4125 0.702128
307 AHR AHR AHR AHR AHR AHR 0.410714 0.857143
308 FUB AHR AHR 0.410714 0.857143
309 VAM 0.409836 0.868421
310 GLF B8D 0.409836 0.775
311 DAF GLC DAF GLC GLC 0.409639 0.702128
312 ACI GLD GLC ACI G6D BGC 0.409639 0.702128
313 AC1 GLC AC1 BGC 0.409639 0.702128
314 ACI G6D GLC ACI G6D BGC 0.409639 0.702128
315 BGC GLC AC1 GLC GLC GLC AC1 0.409639 0.702128
316 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.409639 0.702128
317 MAN MMA MAN 0.409091 0.942857
318 FUB AHR 0.407407 0.857143
319 AHR AHR 0.407407 0.857143
320 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.406977 0.653061
321 4U0 0.406593 0.66
322 BGC BGC SSG PIH 0.405063 0.767442
323 GLA MAN RAM ABE 0.405063 0.891892
324 G1P 0.403846 0.697674
325 GL1 0.403846 0.697674
326 XGP 0.403846 0.697674
327 M1P 0.403846 0.697674
328 GLC IFM 0.403226 0.727273
329 MAN IFM 0.403226 0.727273
330 MAN MAN MAN MAN MAN MAN MAN 0.402597 1
331 XZZ BGC BGC 0.402439 0.702128
332 ACG 0.402299 0.695652
333 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 HC2 0.58427 0.921053
6 HCD 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 with APoc: 78
This union binding pocket(no: 1) in the query (biounit: 2rh1.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 6MFL OPV 1.2987
3 5KOD IAC 1.6
4 3W5N RAM 1.8
5 5IM3 DTP 1.8
6 3HP9 CF1 1.86722
7 5VRH OLB 2
8 4UBS DIF 2.03562
9 4MRP GSH 2.6
10 6BMS PLM 2.6393
11 4Q0A 4OA 2.64901
12 1R6N 434 2.8436
13 5NM7 GLY 3.00752
14 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 3.06122
15 5IUY BOG 3.09051
16 1XMY ROL 3.26633
17 1I0B PEL 3.31325
18 3V1S 0LH 3.41615
19 3ZQE DXC 3.60656
20 3B99 U51 3.78947
21 3F8C HT1 3.96825
22 1TV5 N8E 4.06321
23 5FPN KYD 4.2
24 2QES ADE 4.21456
25 1ZPD CIT 4.22535
26 5LX9 OLB 4.57746
27 4F06 PHB 4.58221
28 5AZC PGT 4.66667
29 3WFD AXO 4.79452
30 2YFB SIN 4.8
31 2VWA PTY 4.9505
32 4QEK GLC 4.98339
33 1NF8 BOG 5.31401
34 4URX FK1 5.54415
35 5V4R MGT 5.55556
36 6BVM EBV 5.60166
37 6BVK EAV 5.60166
38 6BVJ EAS 5.60166
39 6BVI EC4 5.60166
40 4UMJ BFQ 5.8
41 6CB2 OLC 5.80205
42 5CHR 4NC 5.83942
43 4RW3 TDA 6.62252
44 2BCG GER 6.79612
45 5W7B MYR 7.0922
46 5OLK DTP 7.2093
47 1XZ3 ICF 7.47126
48 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 7.8
49 4MGA 27L 7.84314
50 3KO0 TFP 7.92079
51 5XJ7 87O 7.9602
52 1W3R PYR 8.33333
53 6BR8 PGV 8.33333
54 2Y69 CHD 9.46746
55 4V2O CLQ 9.7561
56 5TVI MYR 9.78261
57 5C9J DAO 9.96441
58 5OCA 9QZ 10.084
59 3RV5 DXC 10.1124
60 2WOR 2AN 11
61 4O4Z N2O 12.987
62 5UGW GSH 13.1429
63 4F4S EFO 14.4737
64 2DYS PGV 14.6789
65 5ZCO PGV 14.6789
66 5Z84 PGV 14.6789
67 5Z84 CHD 14.6789
68 2DYR PGV 14.6789
69 5W97 CHD 14.6789
70 5ZCO CHD 14.6789
71 1ZEI CRS 15.0943
72 3WUR O4B 15.2047
73 3KP6 SAL 15.2318
74 1T0S BML 16.2791
75 6C1R EFD 19.9052
76 1L0I PSR 20.5128
77 4OGQ 7PH 31.0345
78 5C1M OLC 34.1216
Pocket No.: 2; Query (leader) PDB : 2RH1; Ligand: CAU; Similar sites found with APoc: 183
This union binding pocket(no: 2) in the query (biounit: 2rh1.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 1ZDT PEF 0.829876
3 1GNI OLA 1
4 4COL DTP 1.4
5 2ZJ1 NAD 1.41414
6 2ZJ1 ARJ 1.41414
7 2Z9I GLY ALA THR VAL 1.54321
8 4MNP SLB 1.60256
9 4H6Q TFB 1.60256
10 2HZL PYR 1.64384
11 1J78 OLA 1.74672
12 1GJW GLC 1.8
13 3LN0 52B 1.8
14 1D6H COA 1.80879
15 5J32 IPM 1.98511
16 4UBS DIF 2.03562
17 1T27 PCW 2.21402
18 6F3N ADN 2.33051
19 6F3N NAD 2.33051
20 5H06 MAL 2.4
21 3I54 CMP 2.40964
22 1EWF PC1 2.41228
23 4DK7 0KS 2.42915
24 5X80 SAL 2.5
25 4LZB URA 2.52101
26 3RWP ABQ 2.57235
27 3VRV YSD 2.58303
28 6EOP F15 2.6
29 3LXI CAM 2.61283
30 5M36 9SZ 2.62009
31 5IXK 6EW 2.63158
32 4Q0A 4OA 2.64901
33 5E7V M7E 2.66667
34 3G08 FEE 2.80702
35 3B1M KRC 2.82686
36 1R6N 434 2.8436
37 3GL0 HXX 2.86533
38 4GFD 0YB 2.92683
39 5NTP 98E 2.94118
40 5UWA 8ND 2.95567
41 3W68 PBU 3.00752
42 3OND ADN 3.07377
43 3OND NAD 3.07377
44 5IUY BOG 3.09051
45 3VVY ET 3.09278
46 4OIV XX9 3.09735
47 4CYD CMP 3.11111
48 5V3Y 5V8 3.14685
49 2Q8G AZX 3.1941
50 4ARE FLC 3.2
51 3FAL REA 3.30579
52 1RDT 570 3.30579
53 1I0B PEL 3.31325
54 3Q8G PEE 3.4
55 4POJ 2VP 3.4632
56 1G6H ADP 3.50195
57 5ZHW DAL DAL 3.50877
58 2Z77 NCA 3.59712
59 2Z77 HE7 3.59712
60 2JHP GUN 3.6
61 3AQT RCO 3.67347
62 2W9S TOP 3.72671
63 3O01 DXC 3.8961
64 1YOK P6L 3.90625
65 1YUC EPH 3.92157
66 3UPY FOM 4.04494
67 3EYK EYK 4.06977
68 2D5Z L35 4.10959
69 1ZPD CIT 4.22535
70 1SR7 MOF 4.2471
71 4OAR 2S0 4.26357
72 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 4.34783
73 3FS1 MYR 4.34783
74 5M67 ADE 4.38413
75 5M67 NAD 4.38413
76 5M67 3D1 4.38413
77 5N26 CPT 4.3956
78 2CI5 HCS 4.57746
79 5LX9 OLB 4.57746
80 2IOY RIP 4.59364
81 5AZC PGT 4.66667
82 5X13 HC4 4.78723
83 2YFB SIN 4.8
84 1VR0 3SL 4.8583
85 2VWA PTY 4.9505
86 5OSW DIU 5
87 3TL1 JRO 5.03145
88 4RQL SNE 5.04202
89 3HUJ AGH 5.05051
90 1SJD NPG 5.16304
91 4MUS LY0 5.21327
92 1Y0L HAN 5.30973
93 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 5.32787
94 4WGF HX2 5.36585
95 1ZED PNP 5.3719
96 6CGN DA 5.4
97 4J7Q B7N 5.40541
98 3SE5 ANP 5.4878
99 4MUQ LY0 5.4902
100 4DXJ 0M9 5.52486
101 4DNJ ANN 5.58252
102 3E70 GDP 5.79268
103 3HLX PQQ 5.81395
104 5CHR 4NC 5.83942
105 4DO1 ANN 5.85366
106 4LH7 NMN 6.19195
107 4F7E 0SH 6.36042
108 3RLF MAL 6.41892
109 2DW7 SRT 6.6838
110 3WMX THR 6.70391
111 3SCM LGN 6.76329
112 2BCG GER 6.79612
113 1J6W MET 6.85714
114 3RUG DB6 6.86275
115 5W7B MYR 7.0922
116 3SQP 3J8 7.2
117 2GWH PCI 7.38255
118 1SBR VIB 7.5
119 2FKW RG1 7.54717
120 3X1M COA 7.54717
121 3G3N TC8 7.54717
122 3G5D 1N1 7.69231
123 3PGL RZX 7.77778
124 4MGB XDH 7.84314
125 3KO0 TFP 7.92079
126 5AAV GW5 7.93651
127 2BJ4 OHT 7.93651
128 4TV1 36M 7.96813
129 2QE4 JJ3 8.06452
130 5NNT DPV 8.10811
131 4WH9 3M8 8.19672
132 1NU4 MLA 8.24742
133 4B16 NAG 8.27068
134 3WYJ H78 8.3004
135 6BR8 PGV 8.33333
136 1OVD FMN 8.36013
137 1OVD ORO 8.36013
138 5C2H 4XU 8.56354
139 4MN7 SME 8.72483
140 1MID LAP 8.79121
141 2E2R 2OH 9.01639
142 5XJD 87L 9.09091
143 2D5X L35 9.21986
144 5MZI FYK 9.32755
145 2Y69 CHD 9.46746
146 2Z7I 742 9.70588
147 4V3I ASP LEU THR ARG PRO 9.72763
148 5C9J DAO 9.96441
149 3RV5 DXC 10.1124
150 5LWY OLB 10.2804
151 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 10.4918
152 5L7G 6QE 10.4918
153 2WOR 2AN 11
154 1OUK 084 11.2022
155 4LY9 1YY 11.303
156 4LY9 S6P 11.303
157 4WO4 JLS 12.0773
158 1A05 IPM 12.5698
159 4O4Z N2O 12.987
160 5UGW GSH 13.1429
161 2HW2 RFP 13.2867
162 1MT1 AG2 13.4615
163 1ZOY UQ1 13.5922
164 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY 13.7255
165 5Z84 CHD 14.6789
166 5ZCO CHD 14.6789
167 5W97 CHD 14.6789
168 2DYS PGV 14.6789
169 1ZEI CRS 15.0943
170 3KP6 SAL 15.2318
171 4YSX E23 16.0256
172 1XVB BHL 16.4706
173 1RV1 IMZ 16.4706
174 2I0G I0G 16.7315
175 3N7S 3N7 20
176 4N6H EJ4 21.9807
177 2YJD YJD 26.25
178 2YVE MBT 27.027
179 4RJD TFP 27.2727
180 5C1M 4VO 34.1216
181 5C1M OLC 34.1216
182 5WIU AQD 43.8389
183 5ZKC 3C0 44.8931
Pocket No.: 3; Query (leader) PDB : 2RH1; Ligand: CLR; Similar sites found with APoc: 12
This union binding pocket(no: 3) in the query (biounit: 2rh1.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 5ET3 60C None
2 3O01 DXC 3.8961
3 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 4.34783
4 5N26 CPT 4.3956
5 3NV6 CAM 4.64602
6 5WL1 CUY 5.05051
7 6BVL EBY 5.60166
8 3RUG DB6 6.86275
9 3WYJ H78 8.3004
10 6GMN F4E 20.1923
11 4N6H EJ4 21.9807
12 4OGQ 1O2 31.0345
Pocket No.: 4; Query (leader) PDB : 2RH1; Ligand: CLR; Similar sites found with APoc: 329
This union binding pocket(no: 4) in the query (biounit: 2rh1.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO5 PIH None
2 2CB8 MYA None
3 1UO4 PIH None
4 1UVC STE None
5 1FK5 OLA None
6 1GNI OLA 1
7 3L0E G58 1.18577
8 4ZBR NPS 1.2
9 4ZBR DIF 1.2
10 6F6E PLM 1.26582
11 3WCA FPS 1.36986
12 2JC9 ADN 1.4
13 4KCF AKM 1.54185
14 4DV8 0LX 1.6
15 3KAL HGS 1.60321
16 2HKJ RDC 1.70576
17 4I6G FAD 1.8
18 3LN0 52B 1.8
19 5EEH P9P 1.8617
20 3GF2 SAL 2.05479
21 1JQI CAA 2.06186
22 3M31 FAD 2.06186
23 5NI5 8YB 2.08333
24 4I4B NAD 2.1028
25 4I4B 1CV 2.1028
26 4WAS NAP 2.1978
27 5W7D PX8 2.2
28 3F3E LEU 2.2
29 4UWJ 7L5 2.2113
30 4UWJ MYA 2.2113
31 1T27 PCW 2.21402
32 6B21 C9V 2.21675
33 5N9T 8QQ 2.2409
34 6ESN BWE 2.24719
35 3PVT 3HC 2.2508
36 5APK 76E 2.26415
37 4WPF 3SN 2.27273
38 2AE2 PTO 2.30769
39 2AE2 NAP 2.30769
40 3QMK SGN IDS SGN IDS 2.33645
41 1IID NHM 2.36967
42 4DJA DLZ 2.4
43 4DJA FAD 2.4
44 5DRB 5FJ 2.4055
45 1EWF PC1 2.41228
46 5B4B LP5 2.41935
47 4DK7 0KS 2.42915
48 3R9V DXC 2.44755
49 3EE4 MYR 2.47678
50 3B6C SDN 2.5641
51 3RWP ABQ 2.57235
52 3VRV YSD 2.58303
53 2A1L PCW 2.59259
54 2YNC YNC 2.60417
55 4B7P 9UN 2.6087
56 5M37 9SZ 2.6087
57 5M36 9SZ 2.62009
58 5IXK 6EW 2.63158
59 3V49 PK0 2.63158
60 6BMS POV 2.6393
61 5E7V M7E 2.66667
62 5LGA 6VH 2.66667
63 4M73 M72 2.67062
64 4M73 SAH 2.67062
65 3VHZ L2P GLC MAN SGA 2.67176
66 3VHZ SOG 2.67176
67 5K53 STE 2.67176
68 1DB1 VDX 2.7027
69 6A0S NDP 2.71084
70 5NTW 98N 2.72374
71 1XQP 8HG 2.73438
72 2AX9 BHM 2.73438
73 3ET3 ET1 2.73973
74 4P6X HCY 2.7451
75 4E2J MOF 2.8
76 4DP3 MMV 2.8
77 3G08 FEE 2.80702
78 4G86 BNT 2.8169
79 3T03 3T0 2.8169
80 5UFS 1TA 2.82258
81 2HFP NSI 2.83688
82 1YMT DR9 2.84553
83 3G4G D71 2.85036
84 1H9G COA MYR 2.88066
85 2P4Y C03 2.88809
86 6GL8 F3Q 2.90698
87 4GFD 0YB 2.92683
88 1YP0 PEF 2.92887
89 3FUR Z12 2.94118
90 5NTP 98E 2.94118
91 3BEJ MUF 2.94118
92 5TWO 7MV 2.94118
93 2OBD 2OB 2.94118
94 2OBD PCW 2.94118
95 3G9E RO7 2.95203
96 3DCT 064 2.97872
97 4RHP PEF 2.97872
98 3JRX S1A 3
99 5LOF 70R 3
100 3OKI OKI 3.00429
101 3P0K FAD 3.00752
102 5K52 OCD 3.01887
103 4JZX 476 3.03867
104 1PZO CBT 3.04183
105 3RUU 37G 3.05677
106 5ICK FEZ 3.05677
107 3L9R L9R 3.06122
108 3L9R L9Q 3.06122
109 5OHJ 9VE 3.08789
110 4OIV XX9 3.09735
111 1BUC CAA 3.13316
112 5V3Y 5V8 3.14685
113 3G58 988 3.14961
114 4RC8 STE 3.15315
115 1M13 HYF 3.16456
116 2Q6B HR2 3.1746
117 5LIA 6XN 3.2
118 2AMV BIN 3.2
119 4PGK Y69 3.27869
120 2R0N TGC 3.29949
121 1RDT 570 3.30579
122 3FAL LO2 3.30579
123 3FAL REA 3.30579
124 5G57 6M5 3.33333
125 1FM9 570 3.36134
126 1FM9 9CR 3.36134
127 3KMZ EQO 3.38346
128 3QCP FAD 3.40426
129 1DKF BMS 3.43348
130 1XON PIL 3.4384
131 4POJ 2VP 3.4632
132 4M8E 29V 3.4632
133 5EK3 5PK 3.47395
134 6A5Y 9R0 3.50877
135 3H0A D30 3.50877
136 3LDW ZOL 3.53535
137 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 3.5461
138 3KU0 ADE 3.58566
139 4Y9J UCC 3.6
140 4L1F COS 3.65535
141 3AQT RCO 3.67347
142 3GWT 066 3.68272
143 6CHP F0Y 3.72671
144 5U97 PIT 3.8
145 1W96 S1A 3.8
146 3LLI FAD 3.83142
147 3LEO GSH 3.87097
148 3IS2 FAD 3.8961
149 1YOK P6L 3.90625
150 1FX8 BOG 3.91459
151 1YUC EPH 3.92157
152 3D72 FAD 4.02685
153 1RX0 2MC 4.07125
154 1IYK MYA 4.08163
155 2D5Z L35 4.10959
156 5CYV WCA 4.10959
157 5Z1N PEF 4.16667
158 3IPQ 965 4.24028
159 1SR7 MOF 4.2471
160 4OAR 2S0 4.26357
161 4XU6 TDA 4.28571
162 2EVL GAL SPH EIC 4.30622
163 4C2X NHW 4.39024
164 2HHP FLC 4.4
165 3QKD HI0 4.41989
166 1N83 CLR 4.44444
167 3ET1 ET1 4.46735
168 1K7L 544 4.51389
169 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 4.5614
170 3SP6 IL2 4.5614
171 4DE3 DN8 4.56274
172 5W7U GY8 4.56853
173 4IBF 1D5 4.65116
174 3KDU NKS 4.69314
175 2YLD CMO 4.72441
176 5VW2 FDA 4.74684
177 5VW2 NAP 4.74684
178 2PX6 DH9 4.74684
179 5X13 HC4 4.78723
180 2HJ3 FAD 4.8
181 5E70 RCD 4.8
182 2NPA MMB 4.81482
183 4ELG 52J 4.81928
184 4ELG 52I 4.81928
185 3FEI CTM 4.86891
186 2P54 735 4.86891
187 4YV5 SVR 4.91803
188 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 5
189 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 5
190 3V66 D3A 5
191 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 5.02092
192 5WL1 D3D 5.05051
193 5T70 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 5.05051
194 3HUJ AGH 5.05051
195 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 5.05051
196 5U98 1KX 5.05051
197 3ZLR X0B 5.06329
198 5B0W 22B 5.15464
199 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 5.16717
200 2Q2Y MKR 5.17711
201 2Q2Y ADP 5.17711
202 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 5.20548
203 3GWN FAD 5.26316
204 1N8V BDD 5.35714
205 4WGF HX2 5.36585
206 1ZED PNP 5.3719
207 6CGN DA 5.4
208 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 5.49451
209 4DXJ 0M9 5.52486
210 4DXJ IPE 5.52486
211 3AHQ FAD 5.5914
212 2JBZ COA 5.59441
213 5DLY 5D7 5.6391
214 3KXC PLM 5.6962
215 3E70 GDP 5.79268
216 3MPI GRA 5.79345
217 4RYV ZEA 5.80645
218 3ABA FLI 5.95534
219 5JE0 AZ8 6.07287
220 5JE0 SAH 6.07287
221 1DTL BEP 6.21118
222 5UI2 EQ3 6.30915
223 4BNU 9KQ 6.3197
224 3KFC 61X 6.32411
225 4F7E 0SH 6.36042
226 1OQC FAD 6.4
227 2P1C GG3 6.41026
228 3ND6 ATP 6.43275
229 5BQI GSH 6.49351
230 5BQI 4UL 6.49351
231 5J6A P46 6.5
232 1LEK GLU GLN TYR LYS PHE TYR SER VAL 6.56934
233 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 6.57895
234 2E3N 6CM 6.66667
235 6BR9 PGV 6.68524
236 3QUZ QUV 6.69856
237 6DIO CIT 6.75991
238 3SCM LGN 6.76329
239 2E9L BGC 6.82303
240 2E9L PLM 6.82303
241 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 6.85921
242 1E4I NFG 6.93512
243 4XIZ LPP 7.14286
244 5H94 LYS MET ASN THR GLN PHE THR ALA VAL 7.14286
245 5F1R 42O 7.173
246 3MBG FAD 7.19424
247 2CIX CEJ 7.35786
248 1QFY FAD 7.46753
249 1QFY NAP 7.46753
250 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 7.5
251 2V5E SCR 7.5
252 5AEI LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 7.69231
253 2QZO KN1 7.75194
254 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 7.75862
255 4X6F 3XU 7.82918
256 4MGD 27N 7.84314
257 4MG9 27K 7.84314
258 4MGB XDH 7.84314
259 5ISZ GLY ILE LEU GLY PHE VAL PHE THR LEU 7.88382
260 5AAV GW5 7.93651
261 2BJ4 OHT 7.93651
262 4TV1 36M 7.96813
263 2QE4 JJ3 8.06452
264 3HR1 PF9 8.1579
265 2ZCQ B65 8.19113
266 2QHD DAO 8.19672
267 1NU4 MLA 8.24742
268 6BR8 6OU 8.33333
269 5ZBK AMP 8.37438
270 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 8.4507
271 3SFI 3SF 8.47458
272 5C2H 4PX 8.56354
273 5C2H 4XU 8.56354
274 5MWE TCE 8.64198
275 1MID LAP 8.79121
276 2J1P GRG 8.87372
277 2E2R 2OH 9.01639
278 3AI3 SOE 9.12547
279 2XXP DSL 9.29648
280 5K7K 6RJ 9.64361
281 4ZGM 32M 9.67742
282 2Z7I 742 9.70588
283 5LWY OLB 10.2804
284 6BYM HC3 10.3448
285 5G5W R8C 10.3571
286 1NHZ 486 10.3571
287 3T58 FAD 10.4
288 2Q1H AS4 10.4
289 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 10.4918
290 5L7G 6QE 10.4918
291 4LSJ LSJ 10.8527
292 1M2Z BOG 10.8949
293 1M2Z DEX 10.8949
294 3BQD DAY 10.9804
295 4LY9 1YY 11.303
296 4LY9 S6P 11.303
297 3GZ9 D32 11.5242
298 2QZT PLM 11.7117
299 6BJ3 ILE PRO LEU THR GLU GLU ALA GLU LEU 11.7647
300 4XB4 45D 11.8421
301 4MA7 P2Z 12.2807
302 2PRG BRL 12.5
303 2J8C SPO 12.8114
304 2J8C U10 12.8114
305 4WT2 3UD 13.3333
306 2BHW NEX 14.2241
307 4OAS 2SW 14.5833
308 2DYS TGL 14.6789
309 2DYR TGL 14.6789
310 5ZCO PEK 14.6789
311 5Z84 PEK 14.6789
312 5ZCO TGL 14.6789
313 2DYR PEK 14.6789
314 2DYS PEK 14.6789
315 3T6E UQ9 16.1172
316 1XVB 3BR 16.4706
317 2IBZ UQ6 16.6667
318 2I0G I0G 16.7315
319 3IIS PID 18.543
320 4V1F BQ1 25.5814
321 2YJD YJD 26.25
322 5MT9 SRO 26.6667
323 5MT9 ARG 26.6667
324 3KPE TM3 27.451
325 4OGQ SQD 31.0345
326 5C1M CLR 34.1216
327 5CSD ACD 37.1069
328 5WIU AQD 43.8389
329 1HBK MYR 46.0674
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