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 263 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 196 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 171 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 5MY 0.6 0.933333
10 IP5 0.6 0.933333
11 5IP 0.6 0.933333
12 I5P 0.6 0.933333
13 I4D 0.566667 0.966667
14 IBS 0.511111 0.789474
15 I6P 0.481481 0.933333
16 IHP 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: 184
This union binding pocket(no: 1) in the query (biounit: 3w9f.bio2) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ZUI SKM 0.02113 0.44367 None
2 3WV1 WHH 0.04154 0.4225 None
3 5WRJ A3P 0.01845 0.415 1.15385
4 3W2E NAD 0.03116 0.43999 1.53846
5 3W2E FAD 0.03116 0.43999 1.53846
6 4TTS 6DD 0.004056 0.46846 1.92308
7 1HEX NAD 0.009774 0.43314 1.92308
8 3CV7 NAP 0.02068 0.40937 1.92308
9 3CV7 C2U 0.02139 0.40937 1.92308
10 3OID NDP 0.03493 0.41015 1.93798
11 5HRA DAS 0.01791 0.41734 2.12766
12 5A65 TPP 0.04507 0.40816 2.30415
13 2B4R NAD 0.0007875 0.49291 2.30769
14 2B4R AES 0.001 0.48385 2.30769
15 2JEN GLC GLC BGC XYS BGC XYS 0.01789 0.43794 2.30769
16 1ZCB GDP 0.0103 0.43751 2.30769
17 4GBM A3P 0.02255 0.42438 2.30769
18 1TKB N1T 0.04285 0.40914 2.30769
19 3GDN FAD 0.02958 0.40639 2.30769
20 3GDN HBX 0.03653 0.40639 2.30769
21 3FB4 AP5 0.03269 0.40474 2.31481
22 1PR9 NAP 0.0406 0.4061 2.45902
23 3B7G ANP 0.03325 0.40544 2.6087
24 3A25 SAM 0.02541 0.40028 2.65781
25 2VK4 TPP 0.008204 0.46043 2.69231
26 1FRB ZST 0.006783 0.45116 2.69231
27 5K6A NAP 0.02265 0.43445 2.69231
28 1UPA TPP 0.02328 0.43227 2.69231
29 2IHT TPP 0.02429 0.43225 2.69231
30 5JDI NAP 0.02597 0.42715 2.69231
31 3GBR PRP 0.04748 0.41586 2.69231
32 4OOE NDP 0.02857 0.40988 2.69231
33 4J1Q NDP 0.02654 0.4039 2.69231
34 4C2W ANP 0.02697 0.40295 2.69231
35 3H8C NSZ 0.03122 0.42703 2.72727
36 4B5W PYR 0.03531 0.40598 2.73438
37 3WCS MAN NAG GAL 0.001681 0.43675 2.75591
38 3WCS MAN NAG 0.01284 0.40801 2.75591
39 1DSS NAD 0.003575 0.46019 3.07692
40 1EKO NAP 0.006946 0.45078 3.07692
41 1EKO I84 0.007173 0.45078 3.07692
42 3N0S ACO 0.01054 0.43967 3.07692
43 1XKD NAP 0.02633 0.42746 3.07692
44 2R5N RP5 0.03344 0.41564 3.07692
45 3H7U NAP 0.01472 0.41252 3.07692
46 2R5N TPP 0.03566 0.4111 3.07692
47 4OD7 ACE PRO TRP ALA THR CYS ASP SER NH2 0.003006 0.46384 3.15789
48 4N65 FMN 0.03992 0.40711 3.30189
49 4N65 AQN 0.0375 0.40321 3.30189
50 1RC0 KT5 0.03363 0.41784 3.34928
51 5LDQ NAP 0.03565 0.40941 3.38983
52 2O4C NAD 0.000637 0.51288 3.46154
53 2D4V NAD 0.01768 0.42835 3.46154
54 3VET TOY 0.02558 0.42051 3.46154
55 3KDU NKS 0.01559 0.41823 3.46154
56 3FS8 TDR 0.03953 0.41789 3.46154
57 3FS8 ACO 0.04163 0.41789 3.46154
58 2FY3 CHT 0.0349 0.41649 3.46154
59 3OZV ECN 0.0178 0.40719 3.46154
60 1SKQ GDP 0.01018 0.41555 3.67816
61 1ZPD DPX 0.009814 0.46173 3.84615
62 1IID NHM 0.03614 0.42231 3.84615
63 1GTE FAD 0.04266 0.41456 3.84615
64 1ZVW PRP 0.04259 0.40582 3.84615
65 3Q9T FAY 0.01777 0.40572 3.84615
66 4C0X FMN 0.03679 0.40413 3.84615
67 4C0X AQN 0.04356 0.40413 3.84615
68 2E22 MAN 0.04371 0.4008 3.84615
69 4BS0 6NT 0.01251 0.40011 3.84615
70 2GTE VA 0.03094 0.41078 4.03226
71 3HVJ 705 0.01967 0.44949 4.0724
72 3ACA 8DD 0.01436 0.44783 4.08163
73 3H9E NAD 0.005348 0.45828 4.23077
74 1EM6 CP4 0.01806 0.4575 4.23077
75 2AQX ATP 0.004828 0.43829 4.23077
76 5E72 SAM 0.005333 0.43455 4.23077
77 4AVB ACO 0.02015 0.43204 4.23077
78 1RSG FAD 0.0271 0.42521 4.23077
79 2EXX NAP 0.03369 0.42169 4.23077
80 1YY5 FAD 0.03417 0.41632 4.23077
81 3A8T ATP 0.01756 0.41413 4.23077
82 2BGS NDP 0.03392 0.40375 4.23077
83 4M3P HCS 0.03931 0.40096 4.23077
84 5TSH ADP 0.03253 0.40009 4.23077
85 3FXU TSU 0.03819 0.41804 4.2623
86 3CX8 GSP 0.01125 0.43117 4.4335
87 3S1S SAH 0.008724 0.44913 4.61538
88 2GCE RFC 0.03282 0.44073 4.61538
89 1B4U DHB 0.01454 0.4202 4.61538
90 3B8X G4M 0.02281 0.41549 4.61538
91 5E5U MLI 0.01253 0.41268 4.61538
92 5GRF ADP 0.04631 0.40764 4.61538
93 4IJR NDP 0.03802 0.40435 4.61538
94 3A3B RBF 0.01043 0.41575 4.73684
95 4IS0 1R4 0.02687 0.42736 4.97925
96 2D3N GLC GLC GLC 0.01549 0.44577 5
97 2D3N GLC GLC 0.01549 0.44577 5
98 3AWJ COA 0.01888 0.42865 5
99 2D3N GLC 0.03077 0.41897 5
100 2D3N GLC GLC GLC GLC 0.03528 0.41897 5
101 2D3N GLC GLC GLC GLC GLC GLC 0.03302 0.41897 5
102 4PIV NDP 0.01682 0.41137 5
103 3W6G FLC 0.009263 0.406 5.09259
104 1ZQ9 SAM 0.02383 0.41619 5.38462
105 2GCN GDP 0.03758 0.401 5.38462
106 2H04 4UN 0.04033 0.40016 5.38462
107 2FSH ANP 0.01631 0.42071 5.39273
108 2BHW LUX 0.01423 0.42712 5.60345
109 3PNL ADP 0.01521 0.43287 5.6872
110 4LRZ ADP 0.01745 0.42907 5.6872
111 1YZX GSF 0.008282 0.43083 5.75221
112 3V1Y NAD 0.00191 0.4811 5.76923
113 2VBF TPP 0.008549 0.4656 5.76923
114 1Q0H FOM 0.01564 0.44623 5.76923
115 1Q0H NDP 0.01654 0.44623 5.76923
116 3TBK ANP 0.03599 0.4036 5.76923
117 3CR3 ADP 0.02135 0.42378 5.78512
118 3I6B KDO 0.03124 0.40258 6.11111
119 4U31 MVP 0.01136 0.44323 6.15385
120 2YNE YNE 0.04058 0.4195 6.15385
121 2YNE NHW 0.04058 0.4195 6.15385
122 5THQ NDP 0.02736 0.40898 6.15385
123 3HBF MYC 0.03547 0.40164 6.15385
124 2D5A COA 0.004081 0.43684 6.25
125 2VYN NAD 0.003525 0.46565 6.53846
126 5FJJ MAN 0.0003983 0.44164 6.53846
127 1ELU CSS 0.007116 0.4253 6.53846
128 2AMV BIN 0.0249 0.41564 6.53846
129 1Z0J GTP 0.01952 0.41516 6.77966
130 4P4T GDP 0.003402 0.458 6.92308
131 2X9L BOG 0.03126 0.41459 6.95971
132 1J0X NAD 0.007012 0.47002 7.30769
133 2GH9 MLR 0.007739 0.44452 7.30769
134 3VCY UD1 0.04867 0.40292 7.30769
135 2AKO ADP 0.01403 0.44472 7.56972
136 1RF6 GPJ 0.01151 0.42733 7.69231
137 1RF6 S3P 0.01217 0.42733 7.69231
138 1R6D DAU 0.04431 0.4041 7.69231
139 4WZA ACP 0.03567 0.41001 8.07692
140 4WZA ADP 0.03567 0.41001 8.07692
141 2BO4 FLC 0.01295 0.40368 8.07692
142 3CRZ NAP 0.03742 0.41837 8.17121
143 3CIF NAD 0.001312 0.49352 8.46154
144 3CIF G3H 0.002457 0.46322 8.46154
145 3MKN DNB 0.00199 0.43159 8.46154
146 2CNT COA 0.02271 0.42936 8.75
147 5DXV NAP 0.01218 0.42984 8.97436
148 2FNU PMP UD1 0.01941 0.41667 9.23077
149 4H8N NDP 0.02707 0.41574 9.23077
150 2DKH 3HB 0.04886 0.41376 9.23077
151 2DKH FAD 0.04 0.41376 9.23077
152 4J36 FAD 0.04623 0.41348 9.39759
153 1HMU ASG GCD 0.003092 0.45404 9.61539
154 5JCA NDP 0.01707 0.42342 10.3846
155 2FAV APR 0.02267 0.43198 10.5556
156 1TB6 GU4 GU6 GU0 GU5 GU8 GU9 GU8 GU9 GU8 GU9 GU8 GU5 GU1 GU6 GU2 GU3 0.004574 0.45726 10.7692
157 4LXQ TYD 0.01207 0.44777 10.7692
158 4LXQ FON 0.01207 0.44777 10.7692
159 1MSK SAM 0.03223 0.4007 10.7692
160 1EFV FAD 0.02098 0.46247 11.1538
161 1EFV AMP 0.02098 0.46247 11.1538
162 4C4P GNP 0.0401 0.40856 11.215
163 4N9I PCG 0.02652 0.43332 11.4286
164 3WQQ IB3 0.03577 0.42887 11.9231
165 3WQQ NDP 0.03577 0.42887 11.9231
166 4KP7 NAP 0.04186 0.42185 11.9231
167 4KP7 1UQ 0.04117 0.418 11.9231
168 2QV7 ADP 0.01431 0.43289 12.3077
169 1MI3 NAD 0.02559 0.41037 13.4615
170 3ZJ0 ACO 0.01455 0.44209 13.5922
171 5URY PAM 0.01581 0.40896 13.6986
172 1YRE COA 0.04673 0.40604 14.2132
173 2DYS PGV 0.008884 0.46711 14.2857
174 2DYR PGV 0.01358 0.45726 14.2857
175 1S7N COA 0.01482 0.41451 14.2857
176 5UIJ TYD 0.04686 0.41733 14.6154
177 2PAV ATP 0.03028 0.40391 15.1079
178 4GUS FAD 0.02031 0.41534 16.129
179 4GUT FAD 0.0186 0.4136 16.129
180 4HSU FAD 0.01857 0.41316 16.129
181 2F59 INI 0.01557 0.40095 21.0191
182 3A27 SAM 0.01959 0.4042 21.1538
183 3Q9N COA 0.005775 0.43289 25.9494
184 4GQB 0XU 0.03228 0.40629 31.8182
Pocket No.: 2; Query (leader) PDB : 3W9F; Ligand: I3P; Similar sites found: 26
This union binding pocket(no: 2) in the query (biounit: 3w9f.bio4) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3O03 NAP 0.03693 0.40976 1.92308
2 1MXH DHF 0.02646 0.41863 2.30769
3 3SRV S19 0.03315 0.40442 2.30769
4 3D3W NAP 0.0248 0.40282 2.45902
5 5ITV NAI 0.03321 0.40309 3.52941
6 3SIG AR6 0.01454 0.40831 3.97112
7 3A4T SFG 0.01677 0.40911 4.23077
8 4MNS 2AX 0.02767 0.42366 4.40252
9 2BD0 NAP 0.02979 0.40238 4.5082
10 2X68 CTE 0.01197 0.42263 4.61538
11 1W6U NAP 0.01855 0.41156 4.61538
12 1W73 NAP 0.009894 0.43862 5
13 1W8D NAP 0.01146 0.43486 5
14 3TN7 NJP 0.03636 0.40826 5
15 3FRH SAH 0.02768 0.40544 5.13834
16 4Z9D NAD 0.03244 0.40033 5.14286
17 2QGI UDP 0.02107 0.40154 5.64516
18 2B4Q NAP 0.03198 0.40827 5.76923
19 5O4J SAH 0.01932 0.40486 6.20438
20 5O4J 9KH 0.01932 0.40486 6.20438
21 5K2M ADP 0.02946 0.40557 6.53846
22 1T8U UAP SGN IDS SGN 0.01002 0.4476 6.92308
23 3H86 AP5 0.03066 0.41807 7.29167
24 3S5W FAD 0.03295 0.40118 7.69231
25 4XJC TTP 0.04503 0.40468 10.7345
26 1TDF FAD 0.03649 0.40839 18.0769
Pocket No.: 3; Query (leader) PDB : 3W9F; Ligand: I3P; Similar sites found: 10
This union binding pocket(no: 3) in the query (biounit: 3w9f.bio5) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3NDJ SAH 0.02218 0.41828 3.07692
2 3NDJ JHZ 0.02218 0.41828 3.07692
3 3WCZ NAP 0.01881 0.41076 3.07692
4 5T67 SAH 0.02261 0.40719 3.07692
5 5T67 JHZ 0.02619 0.40719 3.07692
6 1COY AND 0.01538 0.42347 3.84615
7 4QB6 GCU XYP 0.006718 0.40892 4.26829
8 4TMZ GSP 0.01734 0.41164 4.61538
9 1M7G AV2 0.04931 0.40195 5.21327
10 2PQB GG9 0.03218 0.40199 6.92308
Pocket No.: 4; Query (leader) PDB : 3W9F; Ligand: I3P; 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: 3w9f.bio5) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3W9F; Ligand: I3P; Similar sites found: 11
This union binding pocket(no: 5) in the query (biounit: 3w9f.bio3) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1MXH NAP 0.0258 0.41848 2.30769
2 2WTX VDO 0.02279 0.40639 2.30769
3 2WTX UDP 0.02199 0.40639 2.30769
4 1UF5 CDT 0.01246 0.41334 2.69231
5 1MV8 NAD 0.03681 0.40322 3.46154
6 1KBI PYR 0.01184 0.44323 3.84615
7 1GP6 SIN 0.01784 0.43144 5
8 1GP6 QUE 0.01878 0.43144 5
9 4DSU GDP 0.03449 0.42585 6.87831
10 4LWP SAH 0.02215 0.4184 7.30769
11 1AL8 FMN 0.007124 0.45826 8.07692
Pocket No.: 6; Query (leader) PDB : 3W9F; Ligand: I3P; Similar sites found: 27
This union binding pocket(no: 6) in the query (biounit: 3w9f.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4P3H 25G 0.03797 0.40673 2.07254
2 4XYM A12 0.01223 0.43666 2.6087
3 3BMQ NAP 0.03066 0.42616 2.69231
4 3BMO NAP 0.0296 0.42577 2.69231
5 4CLR NAP 0.02958 0.425 2.69231
6 4CM9 NAP 0.03253 0.42355 2.69231
7 2WD7 NAP 0.03517 0.41894 2.69231
8 1YRB GDP 0.005136 0.41507 2.69231
9 1KMQ GNP 0.04094 0.40276 2.71739
10 1ZUA TOL 0.007424 0.46248 3.07692
11 1ZUA NAP 0.007424 0.46248 3.07692
12 5TDF 7A3 0.008178 0.42334 3.07692
13 1E3Z ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.04998 0.40989 3.07692
14 1IF7 SBR 0.04344 0.42346 3.0888
15 3H7R NAP 0.02195 0.41369 3.46154
16 4MKF AP5 0.02984 0.40739 4.14747
17 3A3B FMN 0.0147 0.40295 4.73684
18 5SZH GNP 0.04094 0.40211 5.22876
19 3W9Z FMN 0.006702 0.41939 5.38462
20 5TPR NAD 0.04347 0.40945 5.38462
21 2D7C GTP 0.04817 0.4043 6.58683
22 1T36 U 0.01607 0.4128 7.30769
23 2VZZ SCA 0.03869 0.41415 7.33945
24 3HJ1 UTP 0.0359 0.40219 7.69231
25 1GAR U89 0.0284 0.40234 12.7358
26 1T90 NAD 0.04531 0.40504 16.1538
27 2EW1 GNP 0.04074 0.4075 19.9005
Pocket No.: 7; Query (leader) PDB : 3W9F; Ligand: I3P; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3W9F; Ligand: I3P; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
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