Receptor
PDB id Resolution Class Description Source Keywords
1p28 1.7 Å NON-ENZYME: TRANSPORT THE CRYSTAL STRUCTURE OF A PHEROMONE BINDING PROTEIN FROM TH COCKROACH LEUCOPHAEA MADERAE IN COMPLEX WITH A COMPONENT OFP HEROMONAL BLEND: 3-HYDROXY-BUTAN-2-ONE. LEUCOPHAEA MADERAE PHEROMONE BINDING PROTEIN 3-HYDROXY-BUTAN-2-ONE TRANSPORT
Ref.: THE CRYSTAL STRUCTURE OF A COCKROACH PHEROMONE-BIND PROTEIN SUGGESTS A NEW LIGAND BINDING AND RELEASE M J.BIOL.CHEM. V. 278 30213 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HBR A:1002;
B:1004;
 Valid;
Valid;
 none;
none;
 Kd = 3.8 uM
88.105 C4 H8 O2 C[C@H...
HBS A:1001;
B:1003;
 Valid;
Valid;
 none;
none;
 Kd = 3.8 uM
88.105 C4 H8 O2 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OW4 1.6 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF A PHEROMONE BINDING PROTEIN FROM THE CO LEUCOPHAEA MADERAE IN COMPLEX WITH THE FLUORESCENT REPORTERA NILINONAPHTALENE-8-SULFONIC ACID), PHEROMONE BINDING PROTEIN LEUCOPHAEA MADERAE
Ref.: THE CRYSTAL STRUCTURE OF A COCKROACH PHEROMONE-BIND PROTEIN SUGGESTS A NEW LIGAND BINDING AND RELEASE M J.BIOL.CHEM. V. 278 30213 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 1P28 Kd = 3.8 uM HBR C4 H8 O2 C[C@H](C(=....
2 1OW4 Kd = 2.1 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 1P28 Kd = 3.8 uM HBR C4 H8 O2 C[C@H](C(=....
2 1OW4 Kd = 2.1 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 1P28 Kd = 3.8 uM HBR C4 H8 O2 C[C@H](C(=....
2 1OW4 Kd = 2.1 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: HBR; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 HBR 1 1
2 HBS 1 1
3 2OP 0.6 0.615385
4 LAC 0.6 0.615385
5 ALQ 0.4375 0.636364
6 ACY 0.428571 0.6
Ligand no: 2; Ligand: HBS; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 HBR 1 1
2 HBS 1 1
3 2OP 0.6 0.615385
4 LAC 0.6 0.615385
5 ALQ 0.4375 0.636364
6 ACY 0.428571 0.6
Similar Ligands (3D)
Ligand no: 1; Ligand: HBR; Similar ligands found: 228
No: Ligand Similarity coefficient
1 PYR 1.0000
2 OXM 1.0000
3 OXL 1.0000
4 HGY 1.0000
5 OXD 1.0000
6 NAK 0.9997
7 DAL 0.9996
8 ALA 0.9971
9 NIS 0.9922
10 BUO 0.9919
11 PYM 0.9882
12 TF4 0.9821
13 THR 0.9690
14 AOA 0.9689
15 FAH 0.9662
16 1AC 0.9650
17 PPI 0.9640
18 DXX 0.9638
19 GLY 0.9637
20 DSN 0.9634
21 2RA 0.9629
22 5Y9 0.9626
23 GOA 0.9624
24 F3V 0.9618
25 GLV 0.9614
26 NIE 0.9595
27 SER 0.9594
28 39J 0.9592
29 MB3 0.9584
30 BUA 0.9578
31 HUI 0.9576
32 3PY 0.9573
33 DE2 0.9567
34 HIU 0.9567
35 DGY 0.9560
36 03W 0.9559
37 BAL 0.9557
38 SMB 0.9549
39 HAE 0.9545
40 BMD 0.9543
41 3OH 0.9537
42 C2N 0.9535
43 TAY 0.9533
44 DBB 0.9526
45 2KT 0.9523
46 R3W 0.9522
47 BU4 0.9509
48 KG7 0.9506
49 HVB 0.9489
50 A3B 0.9480
51 AKR 0.9478
52 EGD 0.9467
53 ALF 0.9462
54 SAR 0.9453
55 DCY 0.9451
56 2A1 0.9447
57 MLI 0.9441
58 CYS 0.9439
59 2A3 0.9434
60 GOL 0.9432
61 KSW 0.9432
62 BAQ 0.9426
63 6SP 0.9416
64 F50 0.9409
65 MLA 0.9377
66 PPF 0.9374
67 HV2 0.9359
68 ATO 0.9356
69 3ZS 0.9354
70 TSZ 0.9350
71 MMZ 0.9343
72 C5J 0.9329
73 BUQ 0.9326
74 ABA 0.9321
75 CP2 0.9320
76 BUB 0.9318
77 PXO 0.9317
78 MEU 0.9316
79 BRP 0.9312
80 ITU 0.9308
81 GBL 0.9307
82 4AX 0.9305
83 DMG 0.9303
84 J3K 0.9302
85 1CB 0.9291
86 HSL 0.9286
87 BXA 0.9255
88 MLM 0.9252
89 3BB 0.9250
90 IVA 0.9243
91 MGX 0.9237
92 HLT 0.9231
93 9A4 0.9225
94 AGU 0.9221
95 61G 0.9218
96 ATQ 0.9214
97 3HR 0.9211
98 7EX 0.9206
99 NHY 0.9205
100 2IM 0.9204
101 BXO 0.9201
102 MRY 0.9199
103 3GR 0.9199
104 3HL 0.9195
105 8X3 0.9191
106 MTG 0.9191
107 NMU 0.9191
108 ETF 0.9185
109 2HA 0.9183
110 8FH 0.9181
111 LER 0.9176
112 1BP 0.9176
113 SLP 0.9148
114 23W 0.9147
115 PRI 0.9141
116 AAE 0.9139
117 1SP 0.9137
118 DTL 0.9132
119 XAP 0.9132
120 CYH 0.9128
121 GXV 0.9119
122 3CL 0.9118
123 2HE 0.9108
124 CHT 0.9098
125 SSN 0.9095
126 HSW 0.9091
127 P7I 0.9075
128 CXL 0.9072
129 DTU 0.9063
130 A2Q 0.9046
131 MZ0 0.9039
132 3ZQ 0.9033
133 2HP 0.9031
134 3MT 0.9029
135 HAI 0.9026
136 L60 0.9011
137 AMT 0.9011
138 BAE 0.9011
139 P2D 0.9004
140 TAU 0.9000
141 NVI 0.8992
142 40O 0.8991
143 FJO 0.8973
144 TFB 0.8965
145 MSF 0.8962
146 DCD 0.8961
147 3TR 0.8953
148 2AI 0.8952
149 HOW 0.8952
150 POA 0.8945
151 TCV 0.8943
152 PUT 0.8939
153 2MZ 0.8935
154 DMI 0.8934
155 VAL 0.8932
156 1MZ 0.8932
157 4MZ 0.8932
158 93B 0.8928
159 03S 0.8919
160 192 0.8915
161 CNH 0.8912
162 IQ0 0.8909
163 VSO 0.8903
164 PRO 0.8902
165 PRS 0.8899
166 AKB 0.8892
167 D2P 0.8890
168 MR3 0.8877
169 BVC 0.8873
170 XPO 0.8872
171 2PC 0.8866
172 KIV 0.8858
173 FCN 0.8858
174 ALO 0.8857
175 273 0.8855
176 ETM 0.8852
177 4DX 0.8849
178 MZY 0.8837
179 BYZ 0.8836
180 5MP 0.8835
181 JZ6 0.8833
182 TAN 0.8830
183 BVG 0.8829
184 DPR 0.8819
185 TB0 0.8817
186 GB 0.8816
187 TFS 0.8814
188 FUS 0.8813
189 9PO 0.8813
190 ODV 0.8805
191 5KX 0.8805
192 TMO 0.8805
193 MMQ 0.8800
194 ICN 0.8795
195 H3M 0.8794
196 FMS 0.8790
197 TBU 0.8784
198 BF4 0.8782
199 FPO 0.8782
200 285 0.8772
201 ES3 0.8770
202 2PA 0.8765
203 PO4 0.8760
204 OSM 0.8754
205 HVQ 0.8748
206 EDO 0.8740
207 IHG 0.8738
208 HCS 0.8737
209 2EZ 0.8735
210 9X7 0.8731
211 MMU 0.8728
212 PZO 0.8727
213 DTT 0.8716
214 WO6 0.8715
215 ART 0.8711
216 HSE 0.8701
217 HYN 0.8700
218 CP 0.8700
219 PAE 0.8698
220 NCM 0.8695
221 DCL 0.8670
222 3SY 0.8669
223 DAB 0.8647
224 YHO 0.8634
225 TZZ 0.8629
226 9XN 0.8625
227 XIX 0.8623
228 PEJ 0.8598
Ligand no: 2; Ligand: HBS; Similar ligands found: 292
No: Ligand Similarity coefficient
1 DAL 1.0000
2 NAK 1.0000
3 OXM 1.0000
4 ALA 1.0000
5 PYR 1.0000
6 OXL 1.0000
7 OXD 1.0000
8 HGY 1.0000
9 NIS 0.9962
10 BUO 0.9912
11 TF4 0.9903
12 PYM 0.9894
13 5Y9 0.9860
14 SER 0.9705
15 AOA 0.9682
16 PPI 0.9670
17 FAH 0.9653
18 GOA 0.9645
19 GLV 0.9630
20 1AC 0.9624
21 GLY 0.9620
22 39J 0.9618
23 F3V 0.9618
24 DXX 0.9612
25 BAL 0.9607
26 DE2 0.9600
27 MB3 0.9592
28 NIE 0.9575
29 DBB 0.9572
30 DSN 0.9569
31 HVB 0.9561
32 HAE 0.9557
33 BMD 0.9553
34 KG7 0.9545
35 HIU 0.9541
36 BU4 0.9538
37 CYS 0.9535
38 03W 0.9535
39 DGY 0.9535
40 3OH 0.9528
41 SAR 0.9509
42 AKR 0.9504
43 BUA 0.9501
44 A3B 0.9495
45 61G 0.9490
46 C2N 0.9490
47 2KT 0.9489
48 GOL 0.9481
49 R3W 0.9471
50 MLI 0.9469
51 F50 0.9459
52 2RA 0.9456
53 ALF 0.9452
54 MLA 0.9445
55 DCY 0.9443
56 TAY 0.9442
57 PPF 0.9441
58 ATO 0.9437
59 3PY 0.9431
60 BAQ 0.9429
61 ABA 0.9421
62 BUB 0.9398
63 2A1 0.9390
64 HUI 0.9388
65 THR 0.9386
66 KSW 0.9382
67 2A3 0.9378
68 GBL 0.9374
69 SMB 0.9342
70 HSL 0.9338
71 3ZS 0.9333
72 ATQ 0.9333
73 CP2 0.9331
74 MMZ 0.9326
75 BUQ 0.9325
76 J3K 0.9324
77 1CB 0.9318
78 C5J 0.9295
79 3HR 0.9288
80 MLM 0.9285
81 3HL 0.9280
82 PXO 0.9277
83 MZY 0.9268
84 BXA 0.9264
85 1BP 0.9262
86 BRP 0.9261
87 TSZ 0.9255
88 6SP 0.9251
89 DMG 0.9245
90 HLT 0.9244
91 4AX 0.9241
92 ETF 0.9237
93 XAP 0.9230
94 7EX 0.9227
95 2IM 0.9227
96 3MT 0.9220
97 IPH 0.9217
98 HV2 0.9216
99 B20 0.9210
100 IVA 0.9207
101 3BB 0.9207
102 NMU 0.9204
103 NHY 0.9191
104 DTL 0.9187
105 1SP 0.9182
106 AGU 0.9180
107 CYH 0.9177
108 GXV 0.9174
109 ITU 0.9170
110 BNZ 0.9170
111 A2Q 0.9169
112 MTG 0.9168
113 23W 0.9167
114 MGX 0.9161
115 LER 0.9156
116 AAE 0.9152
117 AMT 0.9150
118 PHZ 0.9150
119 MEU 0.9145
120 SSN 0.9136
121 9A4 0.9132
122 SLP 0.9130
123 DTI 0.9130
124 CXL 0.9111
125 CHT 0.9110
126 3GR 0.9108
127 MRY 0.9083
128 V1L 0.9073
129 2HE 0.9073
130 HAI 0.9068
131 0PY 0.9063
132 P2D 0.9054
133 CAQ 0.9053
134 MBN 0.9050
135 MZ0 0.9045
136 HSW 0.9041
137 CEJ 0.9036
138 2HP 0.9034
139 MR3 0.9030
140 L60 0.9019
141 DCD 0.9015
142 DMI 0.9014
143 SGL 0.9013
144 8FH 0.9011
145 P1R 0.9002
146 3TR 0.9001
147 EGD 0.8997
148 2MZ 0.8993
149 3ZQ 0.8993
150 9PO 0.8990
151 TCV 0.8990
152 PRI 0.8989
153 40O 0.8987
154 2HA 0.8986
155 KIV 0.8983
156 PRS 0.8968
157 2AI 0.8967
158 3CL 0.8966
159 4MZ 0.8966
160 HOW 0.8963
161 1MZ 0.8962
162 PRO 0.8962
163 BEW 0.8958
164 BAE 0.8949
165 HPY 0.8946
166 MSF 0.8945
167 5MP 0.8941
168 8X3 0.8940
169 GXE 0.8940
170 8CL 0.8930
171 CNH 0.8930
172 NVI 0.8930
173 93B 0.8927
174 4XX 0.8919
175 JZ6 0.8917
176 D2P 0.8917
177 TFB 0.8913
178 FUS 0.8913
179 4DX 0.8913
180 HRZ 0.8910
181 ETM 0.8905
182 GB 0.8903
183 HVK 0.8902
184 03S 0.8899
185 LGA 0.8898
186 VSO 0.8895
187 POA 0.8892
188 OXE 0.8890
189 TMZ 0.8890
190 TMT 0.8890
191 URA 0.8890
192 2AP 0.8889
193 PUT 0.8882
194 2PA 0.8881
195 TTO 0.8880
196 5KX 0.8871
197 FCN 0.8869
198 4AP 0.8868
199 TAU 0.8866
200 BVG 0.8864
201 26D 0.8864
202 3AP 0.8863
203 DTT 0.8863
204 BVC 0.8857
205 192 0.8855
206 TAN 0.8851
207 VAL 0.8849
208 ALO 0.8849
209 TB0 0.8849
210 WOT 0.8847
211 BYZ 0.8845
212 TFS 0.8839
213 TBU 0.8836
214 AKB 0.8831
215 PIH 0.8820
216 ICN 0.8817
217 ES3 0.8817
218 FMS 0.8816
219 DUC 0.8805
220 273 0.8800
221 TMO 0.8798
222 L89 0.8792
223 J1Z 0.8790
224 ODV 0.8789
225 93Q 0.8788
226 1AN 0.8787
227 HSE 0.8787
228 DTU 0.8786
229 JZ0 0.8785
230 280 0.8784
231 2AF 0.8781
232 HHN 0.8781
233 FP2 0.8780
234 76X 0.8778
235 RP7 0.8773
236 PO4 0.8771
237 3SY 0.8770
238 YAN 0.8770
239 H3M 0.8769
240 PYZ 0.8769
241 8LG 0.8766
242 FPO 0.8763
243 CRS 0.8762
244 P7I 0.8761
245 PZO 0.8760
246 2PC 0.8757
247 92Z 0.8750
248 IQ0 0.8750
249 WO6 0.8749
250 EDO 0.8746
251 XPO 0.8743
252 IMD 0.8742
253 TRI 0.8740
254 MMU 0.8737
255 2EZ 0.8735
256 938 0.8730
257 HYN 0.8730
258 HUH 0.8727
259 HVQ 0.8716
260 BF4 0.8714
261 285 0.8713
262 2CH 0.8713
263 HTS 0.8709
264 NCM 0.8702
265 HGW 0.8700
266 PEJ 0.8699
267 MMQ 0.8687
268 ECE 0.8687
269 PAE 0.8684
270 9SB 0.8684
271 HCS 0.8678
272 24T 0.8678
273 25T 0.8675
274 TZZ 0.8673
275 4JU 0.8672
276 9X7 0.8667
277 ART 0.8664
278 XIX 0.8663
279 CP 0.8661
280 E60 0.8660
281 OSM 0.8659
282 IDH 0.8656
283 1DH 0.8654
284 6X8 0.8644
285 T2C 0.8631
286 IHG 0.8626
287 PXY 0.8610
288 JBN 0.8601
289 NVA 0.8592
290 284 0.8574
291 DCL 0.8571
292 CSS 0.8566
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1OW4; Ligand: 2AN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1ow4.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1OW4; Ligand: 2AN; 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: 1ow4.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback