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Receptor
PDB id Resolution Class Description Source Keywords
2HO2 1.33 Å NON-ENZYME: BINDING STRUCTURE OF HUMAN FE65-WW DOMAIN IN COMPLEX WITH HMENA PEPT HOMO SAPIENS WW DOMAIN BETA SHEET FE65 PROTEIN BINDING
Ref.: STRUCTURAL BASIS FOR POLYPROLINE RECOGNITION BY THE DOMAIN. J.MOL.BIOL. V. 372 970 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:101;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU B:1;
Valid;
none;
Kd = 116 uM
990.237 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HO2 1.33 Å NON-ENZYME: BINDING STRUCTURE OF HUMAN FE65-WW DOMAIN IN COMPLEX WITH HMENA PEPT HOMO SAPIENS WW DOMAIN BETA SHEET FE65 PROTEIN BINDING
Ref.: STRUCTURAL BASIS FOR POLYPROLINE RECOGNITION BY THE DOMAIN. J.MOL.BIOL. V. 372 970 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2OEI Kd = 124 uM PRO PRO PRO PRO PRO PRO LEU PRO PRO n/a n/a
2 2HO2 Kd = 116 uM PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 2OEI Kd = 124 uM PRO PRO PRO PRO PRO PRO LEU PRO PRO n/a n/a
2 2HO2 Kd = 116 uM PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 2OEI Kd = 124 uM PRO PRO PRO PRO PRO PRO LEU PRO PRO n/a n/a
2 2HO2 Kd = 116 uM PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU n/a n/a
3 4GWT - LMR C4 H6 O5 C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 1 1
2 PRO PRO PRO PRO PRO PRO LEU PRO PRO 0.625 1
3 MET PRO PRO PRO PRO SEP PRO CYS THR 0.578947 0.734375
4 PRO PRO PRO VAL PRO PRO TYR SER ALA GLY 0.561798 0.960784
5 PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.541667 0.849057
6 PRO PRO PRO VAL NMC PRO ARG ARG ARG 0.530612 0.925926
7 PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.526316 0.882353
8 PRO PRO PRO PRO PRO PRO PRO PRO 0.526316 0.882353
9 MET PRO PRO PRO PRO TPO PRO ARG SER 0.525773 0.774194
10 PRO PRO PRO PRO PRO PRO PRO PRO IYR 0.520833 0.734375
11 PRO PRO PRO MET ALA GLY GLY 0.485714 0.833333
12 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.481132 0.862069
13 VAL PRO PRO PRO VAL PRO PRO PRO PRO SER 0.478261 0.892857
14 PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG 0.473214 0.980769
15 PRO PRO GLY PRO PRO GLY PRO PRO GLY 0.460674 0.87037
16 PRO PRO GLY PRO ALA GLY PRO PRO GLY 0.446602 0.857143
17 SER PRO SER PRO SER PRO SER PRO SER PRO 0.438202 0.824561
18 ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG 0.427184 0.847458
19 ACE PRO PRO PRO VAL IPG PRO ARG ARG 0.409091 0.833333
20 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.4 0.786885
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HO2; Ligand: PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU; Similar sites found with APoc: 351
This union binding pocket(no: 1) in the query (biounit: 2ho2.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 3LKJ LKJ None
2 1C4Q GLA GAL BGC None
3 2TPS TPS None
4 2CM4 RCL None
5 2GJ5 VD3 None
6 5LDQ NAP None
7 5OCG 9R5 None
8 6FA4 D1W None
9 5LYH 7B8 None
10 3BJK CIT None
11 3TAY MN0 None
12 5ANU 58T None
13 3VPD ANP None
14 5L83 ASP TRP GLU ILE VAL None
15 2JLD AG1 None
16 4IPH 1FJ None
17 4UWJ MYA None
18 4UWJ 7L5 None
19 3L5R 47X None
20 3KYF 5GP 5GP None
21 1OGX EQU None
22 4CS4 AXZ None
23 5LXI GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU None
24 4WN5 MVC None
25 1Y7P RIP None
26 4R38 RBF None
27 5N2F 8HW None
28 4ORR PE3 None
29 3OYZ ACO None
30 1UYY BGC BGC None
31 5GP0 GPP None
32 4NP3 2L2 None
33 1PN4 HDC None
34 5LX6 78P None
35 2PFC PLM None
36 4ZRN NAD None
37 1QIN GIP None
38 3TCT 3MI None
39 5NIU 8YZ None
40 4HWT 1B2 None
41 6BHV DQV None
42 5DEY 59T None
43 2AG4 LP3 None
44 2AG4 OLA None
45 4XBA 5GP None
46 6CZI 38E None
47 2IF8 ADP None
48 3DLG GWE None
49 1OGZ EQU None
50 5HV0 AKG None
51 4XBA GMP None
52 5FLJ QUE None
53 2CYC TYR None
54 2OYS FMN None
55 2Q8Y GLN TYR PHE MET TPO GLU PTR VAL ALA None
56 1CEB AMH None
57 4B1M FRU FRU None
58 5DQ8 FLF None
59 1HXD BTN None
60 4RT1 C2E None
61 3E85 BSU None
62 4MIB 28M None
63 5VC5 96M None
64 4K37 SAM None
65 4Z87 5GP None
66 3G5N PB2 None
67 2MJP ANP None
68 5VAD PRO None
69 4QRH 0O2 None
70 2BPM 529 None
71 6BN0 NAG NAG NAG NAG NAG NAG None
72 2P1O IHP None
73 2P1O NLA None
74 4HIA FMN None
75 3N1S 5GP None
76 3NBK PNS None
77 4F07 FAD None
78 5BV6 35G None
79 4F7E 0SH None
80 1NE6 SP1 None
81 5HZX 2GE None
82 4PJT 2YQ None
83 2WYV NAD None
84 6GG9 FMN None
85 4CS4 ANP None
86 6EHH 2GE None
87 5BVE 4VG None
88 3O61 GDD None
89 4FHD EEM None
90 4FHD 0TT None
91 2BOS GLA GAL GLC None
92 6EXF LYS None
93 2BOS GLA GAL None
94 3E2M E2M None
95 4GC1 MAN MAN None
96 2HK5 1BM None
97 3F8D FAD None
98 4JWJ SAH None
99 5G3Y ADP None
100 6FCX FAD None
101 5FPX GLY SER SER HIS HIS HIS HIS HIS None
102 1EWF PC1 None
103 2E5A LAQ None
104 5N2D 8J8 None
105 4G31 0WH None
106 3R1Z ALA GLU None
107 6BU0 IHP None
108 2PP3 LGT None
109 4O4F ATP None
110 1L6O SER LEU LYS LEU MET THR THR VAL None
111 5AE9 OKO None
112 4NS0 PIO None
113 1RKD RIB None
114 1RKD ADP None
115 5JNN 6LM None
116 1XK9 P34 None
117 2POC UD1 None
118 3QJ4 FAD None
119 3QX9 ATP None
120 5XVG 8FX None
121 1YQS BSA None
122 2YNE NHW None
123 2YNE YNE None
124 4Z87 GDP None
125 1KGI T4A None
126 3GXZ BMA MAN MAN MAN None
127 4CNO 9PY None
128 1BC5 ACE ASN TRP GLU THR PHE None
129 4O12 2QG None
130 3H5N ATP None
131 5WA9 9ZD None
132 2FXD DR7 None
133 4WVO 3UZ None
134 4K30 NLG None
135 3A1C ACP 2.63158
136 1KHZ ADV 5.26316
137 3A7R LAQ 5.26316
138 5XIO HFG 5.26316
139 3KH5 AMP 5.26316
140 3KH5 ADP 5.26316
141 5WAN FMN 5.26316
142 5UL4 SAM 5.26316
143 2FOJ GLY ALA ARG ALA HIS SER SER 5.26316
144 6FNU FAD 5.26316
145 4MNS 2AX 5.26316
146 5GOE GDP 5.26316
147 2FUE M1P 5.26316
148 4XU6 TDA 5.26316
149 3IES M24 7.89474
150 5NKB 8ZT 7.89474
151 1ZP9 ATP 7.89474
152 4HWS 1B3 7.89474
153 3FW4 CAQ 7.89474
154 4L9Z COA 7.89474
155 1OPK P16 7.89474
156 4WW8 VD9 7.89474
157 6EK3 OUL 7.89474
158 5E2N V14 7.89474
159 4L9Z OXL 7.89474
160 3B1Q NOS 7.89474
161 4XIZ LPP 7.89474
162 3SLS ANP 7.89474
163 6BHQ NAG NAG FUL BMA MAN MAN NAG GAL 7.89474
164 6FTB M0E 7.89474
165 5E5U 1PS 7.89474
166 1USF NAP 7.89474
167 4I4Z 2NE 7.89474
168 1B7Y FYA 7.89474
169 2GOO NDG 7.89474
170 5BV3 M7G 7.89474
171 5L92 MLA 7.89474
172 1F5F DHT 10.5263
173 3GZ8 APR 10.5263
174 1KDK DHT 10.5263
175 5X1M THG 10.5263
176 5X1M DHB 10.5263
177 3KYG 5GP 5GP 10.5263
178 2RDE C2E 10.5263
179 4IAW LIZ 10.5263
180 1HKK NAA NAA AMI 10.5263
181 1H4H XYP XYS XYP 10.5263
182 2OQ2 A3P 10.5263
183 5FI4 5XV 10.5263
184 5DXT 5H5 10.5263
185 5HI5 63Q 10.5263
186 4FAJ LEU VAL THR LEU VAL PHE VAL 10.5263
187 4J7H TLO 10.5263
188 4Q9N NAI 10.5263
189 3B82 NAD 10.5263
190 5XIJ ANP 10.5263
191 1OLM VTQ 10.5263
192 1WPY BTN 10.5263
193 5XIJ 873 10.5263
194 3EKK GS2 10.5263
195 4CQE CQE 10.5263
196 3VCA PRO 10.5263
197 5J75 6GQ 10.5263
198 4I54 1C1 13.1579
199 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 13.1579
200 4YVN EBS 13.1579
201 5LHT TIH 13.1579
202 3IU9 T07 13.1579
203 3RWP ABQ 13.1579
204 3PE2 E1B 13.1579
205 4K3H 1OM 13.1579
206 5U98 1KX 13.1579
207 5IXH OTP 13.1579
208 2Z77 HE7 13.1579
209 5LGD PLM 13.1579
210 5JJU AMP 13.1579
211 5ISY NAD 13.1579
212 1XNK XS2 13.1579
213 1LVG 5GP 13.1579
214 5TFZ 7BC 13.1579
215 5C5H 4YB 13.1579
216 3L9R L9R 13.1579
217 4WO4 JLS 13.1579
218 2YGN PCF 13.1579
219 2RDQ AKG 13.1579
220 3EPO MP5 13.1579
221 1G9J BGC SGC BGC SGC BGC SGC BGC SGC 13.1579
222 2BKK ADP 13.1579
223 1J3I WRA 13.1579
224 1J3I NDP 13.1579
225 2YGO PCF 13.1579
226 4MN3 ACE PHE ALA TYR M3L SER NH2 13.1579
227 5TH5 7C5 13.1579
228 2I6A 5I5 13.1579
229 3HUJ AGH 13.1579
230 4WTR BGC BGC 13.1579
231 2PVN P63 13.1579
232 3RG9 NDP 13.1579
233 3RG9 WRA 13.1579
234 1JIL 485 13.1579
235 3STD MQ0 13.1579
236 1BHX ASP PHE GLU GLU ILE 15.7895
237 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 15.7895
238 6GW1 CHO 15.7895
239 2J5B TYE 15.7895
240 1OUK 084 15.7895
241 6G9I CXX 15.7895
242 5KBZ 3B2 15.7895
243 2FR1 NDP 15.7895
244 2ICK DMA 15.7895
245 2C78 PUL 15.7895
246 5TZO 7V7 15.7895
247 5F3I 5UJ 15.7895
248 5KWY C3S 15.7895
249 5F6U 5VK 15.7895
250 4DVR 0LY 15.7895
251 5LRT ADP 15.7895
252 2XG5 EC2 15.7895
253 2XG5 EC5 15.7895
254 2AOT 2PM 15.7895
255 1ZNY GDP 15.7895
256 6E48 4OA 15.7895
257 5W4W 9WG 15.7895
258 4ZTE 4RL 15.7895
259 5EH0 5NW 15.7895
260 3A5Y KAA 15.7895
261 5LY1 PPI 15.7895
262 4RW3 IPD 15.7895
263 4ZH7 FUC GAL NAG GAL FUC 18.4211
264 5LIA 6XN 18.4211
265 1ZB6 GST 18.4211
266 1ELI PYC 18.4211
267 4IJP 1EH 18.4211
268 1W2D 4IP 18.4211
269 5NCF 8T5 18.4211
270 2B9J ADP 18.4211
271 2AQX ATP 18.4211
272 2IFW ACE PHE LYS PHE PSA LEU AAR 18.4211
273 2B9I ADP 18.4211
274 2B9H ADP 18.4211
275 2B9F ADP 18.4211
276 5JKG 6LF 18.4211
277 5UR1 YY9 18.4211
278 4INI AMP 18.4211
279 2ABS ACP 18.4211
280 4FFG LBS 18.4211
281 3UW5 MAA CHG PRO 0DQ 21.0526
282 4M1U MBG A2G 21.0526
283 5M6N 7H9 21.0526
284 4NJH SAM 21.0526
285 4NJH 2K8 21.0526
286 5AE2 FYC 21.0526
287 6C6O ENG 21.0526
288 5I8T LAC 21.0526
289 2HKA C3S 21.0526
290 1YKJ PHB 21.0526
291 1YKJ FAD 21.0526
292 4WHZ 3NL 21.0526
293 5AE2 FAD 21.0526
294 4MTI 2DX 21.0526
295 3EEL 53T 21.0526
296 4M1U A2G MBG 21.0526
297 3B99 U51 21.0526
298 4AG8 AXI 21.0526
299 1EWJ BLM 21.0526
300 3UW4 MAA CHG PRO 0DQ 21.0526
301 4AZW ATP 21.0526
302 4IZY 1J2 23.6842
303 3RFA SAM 23.6842
304 6GVZ CHO 23.6842
305 4ZW3 4S9 23.6842
306 5IH1 6BQ 23.6842
307 5IH1 GDP 23.6842
308 5Y4R C2E 23.6842
309 5XLY C2E 23.6842
310 4JJJ CE6 23.6842
311 5AB0 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN 23.6842
312 5TA6 79D 23.6842
313 3OF1 CMP 23.6842
314 1TFZ 869 23.6842
315 4D06 NAR 23.6842
316 1YKD CMP 23.6842
317 2HRL SIA GAL SIA BGC NGA CEQ 23.6842
318 1VA6 P2S 26.3158
319 1VA6 ADP 26.3158
320 2WSA MYA 26.3158
321 2WSA 646 26.3158
322 1PZO CBT 26.3158
323 4X6F 3XU 26.3158
324 5IVE 6E8 26.3158
325 2C49 ADN 26.3158
326 4PAB THG 26.3158
327 4IGQ THR M3L GLN 26.3158
328 2VNF ALA ARG THR M3L GLN THR ALA ARG LYS SER 26.3158
329 3LVW GSH 28.9474
330 5A3T MMK 28.9474
331 1YEJ PNF 28.9474
332 4N70 2HX 28.9474
333 5C83 4YN 31.5789
334 5OQW A4E 31.5789
335 2VSL MAA LYS PRO PHE 31.5789
336 3CM2 X23 31.5789
337 2GC0 PAN 31.5789
338 1XK5 TPG 31.5789
339 5UKL SIX 31.5789
340 2RKV ZBA 31.5789
341 4R3U 3HC 31.5789
342 4R3U 3KK 31.5789
343 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 34.2105
344 1ZEA DVA DPR GLY DSN DGN DHI DTY DAS DSN 34.2105
345 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 34.2105
346 4RDL FUC GAL NDG FUC 34.2105
347 2UUU PL3 34.2105
348 5VE5 GSH 34.2105
349 4GJ3 0XP 36.8421
350 2JEN GLC GLC BGC XYS BGC XYS 42.1053
351 5XQW 8EU 42.1053
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