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Receptor
PDB id Resolution Class Description Source Keywords
3W9F 1.9 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE ANKILIN REPEAT DOMAIN OF CHICKEN TR COMPLEX WITH IP3 GALLUS GALLUS ANKYRIN REPEAT DOMAIN ARD TRANSPORT PROTEIN
Ref.: TRPV4 CHANNEL ACTIVITY IS MODULATED BY DIRECT INTER THE ANKYRIN DOMAIN TO PI(4,5)P2 NAT COMMUN V. 5 4994 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
I3P C:2001;
A:2001;
D:2001;
B:2001;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
420.096 C6 H15 O15 P3 [C@H]...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3W9F 1.9 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE ANKILIN REPEAT DOMAIN OF CHICKEN TR COMPLEX WITH IP3 GALLUS GALLUS ANKYRIN REPEAT DOMAIN ARD TRANSPORT PROTEIN
Ref.: TRPV4 CHANNEL ACTIVITY IS MODULATED BY DIRECT INTER THE ANKYRIN DOMAIN TO PI(4,5)P2 NAT COMMUN V. 5 4994 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 286 families.
1 3W9F - I3P C6 H15 O15 P3 [C@H]1([C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3W9F - I3P C6 H15 O15 P3 [C@H]1([C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 174 families.
1 3W9F - I3P C6 H15 O15 P3 [C@H]1([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: I3P; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 I3P 1 1
2 I3S 1 1
3 4IP 0.724138 0.966667
4 2IP 0.692308 1
5 I0P 0.678571 0.966667
6 ITP 0.655172 1
7 I4P 0.653846 0.933333
8 IP2 0.642857 1
9 5IP 0.6 0.933333
10 IP5 0.6 0.933333
11 I5P 0.6 0.933333
12 5MY 0.6 0.933333
13 I4D 0.566667 0.966667
14 IBS 0.511111 0.789474
15 IHP 0.481481 0.933333
16 I6P 0.481481 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3W9F; Ligand: I3P; Similar sites found with APoc: 306
This union binding pocket(no: 1) in the query (biounit: 3w9f.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZUI SKM None
2 5WRJ A3P 1.15385
3 3W2E FAD 1.53846
4 3W2E NAD 1.53846
5 5OCQ CIT 1.53846
6 2JLD AG1 1.53846
7 5IKI A9H 1.53846
8 4QC6 30N 1.67598
9 4TTS 6DD 1.92308
10 4D9C PMP 1.92308
11 1HEX NAD 1.92308
12 1KGZ PRP 1.92308
13 3CV7 C2U 1.92308
14 3CV7 NAP 1.92308
15 3OID NDP 1.93798
16 1D09 PAL 1.96078
17 6B8B CZJ 2.00803
18 5X0J AMP 2.06612
19 5X0J SEP 2.06612
20 5HRA DAS 2.12766
21 4RRG A3T 2.12766
22 5A65 TPP 2.30415
23 2B4R AES 2.30769
24 2B4R NAD 2.30769
25 2JEN GLC GLC BGC XYS BGC XYS 2.30769
26 1ZCB GDP 2.30769
27 4GBM A3P 2.30769
28 1T7Q COA 2.30769
29 1T7Q 152 2.30769
30 3H5N ATP 2.30769
31 1TKB N1T 2.30769
32 3GDN HBX 2.30769
33 3GDN FAD 2.30769
34 5DX1 SFG 2.30769
35 3FB4 AP5 2.31481
36 2VDV SAM 2.43902
37 4XPL ACO 2.45399
38 1PR9 NAP 2.45902
39 3B7G ANP 2.6087
40 3A25 SAM 2.65781
41 2VK4 TPP 2.69231
42 1FRB ZST 2.69231
43 3JQF NAP 2.69231
44 2VZ0 D64 2.69231
45 2VZ0 NAP 2.69231
46 1QPB PYM 2.69231
47 5K6A NAP 2.69231
48 1UPA TPP 2.69231
49 2IHT TPP 2.69231
50 3JQB NAP 2.69231
51 4CMI NAP 2.69231
52 4CLO NAP 2.69231
53 5JCJ NAP 2.69231
54 4CM4 NAP 2.69231
55 4CME NAP 2.69231
56 5JDC NAP 2.69231
57 3O3R NAP 2.69231
58 2VHW NAI 2.69231
59 4OOE NDP 2.69231
60 4OOE FOM 2.69231
61 1QPB TPP 2.69231
62 2BHZ MAL 2.69231
63 3JQG NAP 2.69231
64 2IHU TP9 2.69231
65 3GBR PRP 2.69231
66 4J1Q NDP 2.69231
67 5JDI NAP 2.69231
68 4C2W ANP 2.69231
69 3H8C NSZ 2.72727
70 4B5W PYR 2.73438
71 3WCS MAN NAG GAL 2.75591
72 3WCS MAN NAG 2.75591
73 4X8O AP5 2.80374
74 2GJP BGC GLC DAF GLC GLC GLC DAF 2.8866
75 4Y7U 2KH 3.0303
76 6GCB GSH 3.07692
77 1DSS NAD 3.07692
78 1EKO NAP 3.07692
79 1EKO I84 3.07692
80 1XKD NAP 3.07692
81 5TE1 7A2 3.07692
82 2R5N RP5 3.07692
83 4RJK TPP 3.07692
84 4Y9D NAI 3.07692
85 5CPS GLC GLC GLC GLC GLC GLC GLC GLC GLC 3.07692
86 3H7U NAP 3.07692
87 2R5N TPP 3.07692
88 4YBN FAD 3.125
89 4OD7 ACE PRO TRP ALA THR CYS ASP SER NH2 3.15789
90 3BF1 ADP 3.21285
91 4NU0 AP5 3.22581
92 4N65 FMN 3.30189
93 4N65 AQN 3.30189
94 1RC0 KT5 3.34928
95 5LDQ NAP 3.38983
96 2O4C NAD 3.46154
97 2BPM 529 3.46154
98 5UR0 NAD 3.46154
99 2D4V NAD 3.46154
100 3VET TOY 3.46154
101 3KDU NKS 3.46154
102 3FS8 ACO 3.46154
103 3FS8 TDR 3.46154
104 2FY3 CHT 3.46154
105 1MDZ DCS 3.46154
106 1MDZ PLP 3.46154
107 3OZV ECN 3.46154
108 5Z4T BMA BMA 3.46154
109 2GRU NAD 3.46154
110 6G7N DAL 3.46154
111 6G7N DGL 3.46154
112 1SKQ GDP 3.67816
113 1ZPD DPX 3.84615
114 1IID NHM 3.84615
115 4YS0 ADP 3.84615
116 1JQN DCO 3.84615
117 1GTE FAD 3.84615
118 1ZVW PRP 3.84615
119 3Q9T FAY 3.84615
120 4C0X FMN 3.84615
121 4C0X AQN 3.84615
122 2E22 MAN 3.84615
123 5Z6T NAP 3.84615
124 2YC5 6BC 3.94737
125 4R57 ACO 3.97727
126 2GTE VA 4.03226
127 3HVJ 705 4.0724
128 1SJN DUP 4.11765
129 3H9E NAD 4.23077
130 1EM6 CP4 4.23077
131 6FFL GLC GLC GLC 4.23077
132 2AQX ATP 4.23077
133 5E72 SAM 4.23077
134 4AVB ACO 4.23077
135 1RSG FAD 4.23077
136 2EXX NAP 4.23077
137 1YY5 FAD 4.23077
138 2P69 PLP 4.23077
139 3A8T ATP 4.23077
140 5U5G NAP 4.23077
141 3H4V NAP 4.23077
142 2BGS NDP 4.23077
143 5TSH ADP 4.23077
144 3PVT 3HC 4.2471
145 3FXU TSU 4.2623
146 3CX8 GSP 4.4335
147 6C0B MLI 4.48718
148 3S1S SAH 4.61538
149 2GCE RFC 4.61538
150 2GCE SFC 4.61538
151 2VVM FAD 4.61538
152 1OZH HE3 4.61538
153 1B4U DHB 4.61538
154 5E5U MLI 4.61538
155 4DDY DN6 4.61538
156 4IJR NDP 4.61538
157 4YAC NAI 4.61538
158 5HIP 61O 4.62046
159 3A3B RBF 4.73684
160 4IS0 1R4 4.97925
161 2D3N GLC GLC GLC 5
162 2D3N GLC GLC 5
163 3AWJ COA 5
164 5WP4 SAH 5
165 2D3N GLC 5
166 2D3N GLC GLC GLC GLC GLC GLC 5
167 2D3N GLC GLC GLC GLC 5
168 2UUU FAD 5
169 4PIV NDP 5
170 3W6G FLC 5.09259
171 4NP3 2L2 5.33333
172 6C28 WCA 5.37634
173 5EYG NAP 5.38462
174 5VYR GMP 5.38462
175 5VYR B62 5.38462
176 5GLN XYP XYP XYP 5.38462
177 1ZQ9 SAM 5.38462
178 2GCN GDP 5.38462
179 2H04 4UN 5.38462
180 2FSH ANP 5.39273
181 5NQR 958 5.47945
182 2BHW LUX 5.60345
183 1GP2 GDP 5.6338
184 6EDV COA 5.6701
185 3PNL ADP 5.6872
186 4LRZ ADP 5.6872
187 1YZX GSF 5.75221
188 3V1Y NAD 5.76923
189 2VBF TPP 5.76923
190 1Q0H FOM 5.76923
191 1Q0H NDP 5.76923
192 4ASJ N6A 5.76923
193 3TBK ANP 5.76923
194 3CR3 ADP 5.78512
195 1DEK DGP 5.80913
196 3I6B KDO 6.11111
197 4ZVV NAD 6.15385
198 4ZVV GN0 6.15385
199 4U31 MVP 6.15385
200 2YNE NHW 6.15385
201 2YNE YNE 6.15385
202 5THQ NDP 6.15385
203 3HBF MYC 6.15385
204 5AE2 FAD 6.15385
205 2D5A COA 6.25
206 4OAS 2SW 6.25
207 1KYV RBF 6.28931
208 5LXT 7AK 6.29371
209 5LXT GDP 6.29371
210 4Z0H NAD 6.53846
211 2VYN NAD 6.53846
212 5V7P SAH 6.53846
213 1ELU CSS 6.53846
214 5FJJ MAN 6.53846
215 2AMV BIN 6.53846
216 4ZO3 C6L 6.53846
217 5K2M ADP 6.53846
218 1Z0J GTP 6.77966
219 1HKU NAD 6.92308
220 4P4T GDP 6.92308
221 5H62 UDP 6.92308
222 5LOF 70R 6.92308
223 2X9L BOG 6.95971
224 1J0X NAD 7.30769
225 2GH9 MLR 7.30769
226 2NXW TPP 7.30769
227 3VCY UD1 7.30769
228 2VZZ SCA 7.33945
229 4ZVF GAV 7.55814
230 2AKO ADP 7.56972
231 1RF6 S3P 7.69231
232 1RF6 GPJ 7.69231
233 1R6D DAU 7.69231
234 6BC0 GSP 8
235 5WX3 COA 8.07692
236 4WZA ADP 8.07692
237 4WZA ACP 8.07692
238 2BO4 FLC 8.07692
239 4FDV 0UK 8.13397
240 3CRZ NAP 8.17121
241 1QX4 FAD 8.39416
242 3CIF NAD 8.46154
243 6EDK 1YA 8.46154
244 3CIF G3H 8.46154
245 3MKN DNB 8.46154
246 2CNT COA 8.75
247 5OYH T99 8.80829
248 5DXV NAP 8.97436
249 5UPK GNP 9.18919
250 5AM1 I5T 9.23077
251 2FNU PMP UD1 9.23077
252 4H8N NDP 9.23077
253 2DKH FAD 9.23077
254 2DKH 3HB 9.23077
255 3K8D CTP 9.23077
256 4J36 FAD 9.39759
257 1HMU ASG GCD 9.61539
258 6CHP F0Y 9.93789
259 1UU1 PMP HSA 10
260 4NBI D3Y 10.3659
261 5JCA NDP 10.3846
262 2FAV APR 10.5556
263 4LXQ FON 10.7692
264 4LXQ TYD 10.7692
265 6BM5 SAM 10.7692
266 1EFV FAD 11.1538
267 1EFV AMP 11.1538
268 5W8Q BU4 11.1538
269 4C4P GNP 11.215
270 4N9I PCG 11.4286
271 5DY5 5GR 11.8421
272 3WQQ IB3 11.9231
273 3WQQ NDP 11.9231
274 4KP7 NAP 11.9231
275 4KP7 1UQ 11.9231
276 2QV7 ADP 12.3077
277 5AZ1 NDP 12.3077
278 4DEC 3PG 12.3077
279 4DEC UDP 12.3077
280 4LIK CIT 12.3077
281 5WKC TP9 12.6923
282 4XT8 NAP 12.6923
283 5WKC AUJ 12.6923
284 1MI3 NAD 13.4615
285 3ZJ0 ACO 13.5922
286 5URY PAM 13.6986
287 1YRE COA 14.2132
288 2DYS PGV 14.2857
289 2DYR PGV 14.2857
290 5ZCO PGV 14.2857
291 5Z84 PGV 14.2857
292 1S7N COA 14.2857
293 5UIJ TYD 14.6154
294 2ZEJ GDP 14.6739
295 4GUS FAD 16.129
296 4GUT FAD 16.129
297 4HSU FAD 16.129
298 5N1Z 8GQ 17.8862
299 2F59 INI 21.0191
300 3A27 SAM 21.1538
301 3ZIA ADP 22.2222
302 3Q9N COA 25.9494
303 4XCZ T3Q 27.3077
304 4XCZ FON 27.3077
305 4GQB 0XU 31.8182
306 5FA5 MTA 35
Pocket No.: 2; Query (leader) PDB : 3W9F; Ligand: I3P; Similar sites found with APoc: 48
This union binding pocket(no: 2) in the query (biounit: 3w9f.bio4) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1G0H IPD 1.5873
2 3O03 NAP 1.92308
3 1MXH DHF 2.30769
4 1MXH NAP 2.30769
5 3SRV S19 2.30769
6 3D3W NAP 2.45902
7 4NBT NAD 2.5
8 2WD7 NAP 2.69231
9 2II3 CAO 2.69231
10 3JQ8 NAP 2.69231
11 3BMN NAP 2.69231
12 5W7R 9Z7 3.46154
13 4FN4 NAD 3.54331
14 3SIG AR6 3.97112
15 3AFN NAP 4.23077
16 3A4T SFG 4.23077
17 3ZV6 NAD 4.23077
18 4MNS 2AX 4.40252
19 2BD0 NAP 4.5082
20 2D4N DUP 4.60526
21 4XGU ADP 4.61538
22 5ZTN CUR 4.61538
23 2X68 CTE 4.61538
24 1W6U NAP 4.61538
25 5XVG 8FX 4.61538
26 1W73 NAP 5
27 1W8D NAP 5
28 3TN7 NJP 5
29 5ERG SAM 5
30 3FRH SAH 5.13834
31 4Z9D NAD 5.14286
32 6AA8 NAD 5.38462
33 3T50 FMN 5.46875
34 2QGI UDP 5.64516
35 2B4Q NAP 5.76923
36 5O4J SAH 6.20438
37 5O4J 9KH 6.20438
38 5SVV FMN 6.56934
39 1T8U UAP SGN IDS SGN 6.92308
40 4URF NAD 7.25806
41 3H86 AP5 7.29167
42 1H5Q NAP 7.30769
43 3S5W FAD 7.69231
44 5N5S NAP 8.46154
45 6HQD SRT 8.46154
46 4XJC TTP 10.7345
47 2PQ9 GG9 14.6154
48 1TDF FAD 18.0769
Pocket No.: 3; Query (leader) PDB : 3W9F; Ligand: I3P; Similar sites found with APoc: 25
This union binding pocket(no: 3) in the query (biounit: 3w9f.bio5) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 2WTX VDO 2.30769
2 2WTX UDP 2.30769
3 1UF5 CDT 2.69231
4 4CM8 NAP 2.69231
5 3NDJ JHZ 3.07692
6 3NDJ SAH 3.07692
7 3WCZ NAP 3.07692
8 5T67 JHZ 3.07692
9 5T67 SAH 3.07692
10 1MV8 NAD 3.46154
11 1KBJ FMN 3.84615
12 1COY AND 3.84615
13 3H4V DVP 4.23077
14 4QB6 GCU XYP 4.26829
15 4TMZ GSP 4.61538
16 1GP6 QUE 5
17 1GP6 DH2 5
18 1GP6 SIN 5
19 1M7G AV2 5.21327
20 3GEG NAD 5.66802
21 4RHE FMN 6.2201
22 2PQB GG9 6.92308
23 4LWP SAH 7.30769
24 1AL8 FMN 8.07692
25 1LTH NAD 16.5385
Pocket No.: 4; Query (leader) PDB : 3W9F; Ligand: I3P; Similar sites found with APoc: 69
This union binding pocket(no: 4) in the query (biounit: 3w9f.bio5) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4MKG AP5 1.84332
2 4P3H 25G 2.07254
3 2VUT NAD 2.27273
4 1DQS NAD 2.30769
5 2X7J TPP 2.30769
6 6EOA FMN 2.30769
7 1LVG 5GP 2.52525
8 4XYM A12 2.6087
9 4FWE FAD 2.69231
10 3BMO NAP 2.69231
11 3BMQ NAP 2.69231
12 4CLR NAP 2.69231
13 4CM9 NAP 2.69231
14 3JQ7 NAP 2.69231
15 1YRB GDP 2.69231
16 1VKJ A3P 2.69231
17 5TUK FAD 2.69231
18 1KMQ GNP 2.71739
19 1ZUA NAP 3.07692
20 1ZUA TOL 3.07692
21 3B1J NAD 3.07692
22 5TDF 7A3 3.07692
23 1XP8 AGS 3.07692
24 1E3Z ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 3.07692
25 5ESO ISC 3.07692
26 5ESO TDP 3.07692
27 5CPS GLC GLC GLC GLC GLC GLC GLC GLC 3.07692
28 1Q19 SSC 3.07692
29 4R2M ANP 3.16456
30 2W2X GSP 3.24324
31 1Z0A GDP 3.44828
32 1IIM TTP 3.46154
33 3H7R NAP 3.46154
34 3VMF GTP 3.84615
35 5TDC NMM ILE PHE SER 3.94737
36 4MKF AP5 4.14747
37 5Z49 RUB 4.60251
38 4R5Z PMP 4.61538
39 1KQN NAD 4.61538
40 3GAY P6T 4.61538
41 1Q1R FAD 4.61538
42 3A3B FMN 4.73684
43 5SZH GNP 5.22876
44 1SAY PYR 5.38462
45 3W9Z FMN 5.38462
46 5TPR NAD 5.38462
47 5XOY LYS 5.38462
48 4DKX GDP 5.55556
49 3GLC R5P 5.76923
50 3WR7 COA 5.88235
51 2FWP ICR 6.55738
52 2D7C GTP 6.58683
53 3FSJ D7K 6.92308
54 4U03 GTP 6.92308
55 1T36 U 7.30769
56 3HJ1 UTP 7.69231
57 2BCG GDP 8.25243
58 6CE2 SVR 8.26446
59 1QHH ATP 8.28402
60 3LXR GDP 8.33333
61 5Z75 NAD 9.23077
62 5BNS 4VM 10.7692
63 1RLJ FMN 11.5108
64 2R0N FAD 11.5385
65 1GAR U89 12.7358
66 1J49 NAD 13.0769
67 1T90 NAD 16.1538
68 4X9D U5P 16.9014
69 2EW1 GNP 19.9005
Pocket No.: 5; Query (leader) PDB : 3W9F; Ligand: I3P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3w9f.bio3) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3W9F; Ligand: I3P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3w9f.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3W9F; Ligand: I3P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3w9f.bio6) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3W9F; Ligand: I3P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3w9f.bio6) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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