Receptor
PDB id Resolution Class Description Source Keywords
1UPR 2.27 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE PEPP1 PLECKSTRIN HOMOLOGY DOMAIN IN COMPLEX WITH INOSITOL 1,3,4,5-TETRAKISPHOSPHATE HOMO SAPIENS SIGNALING PROTEIN SIGNAL TRANSDUCTION PHOSPHOINOSITIDE BINDOMAIN
Ref.: CRYSTAL STRUCTURE OF THE PLECKSTRIN HOMOLOGY DOMAIN TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4IP A:2154;
Valid;
none;
submit data
500.075 C6 H16 O18 P4 [C@H]...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UPR 2.27 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE PEPP1 PLECKSTRIN HOMOLOGY DOMAIN IN COMPLEX WITH INOSITOL 1,3,4,5-TETRAKISPHOSPHATE HOMO SAPIENS SIGNALING PROTEIN SIGNAL TRANSDUCTION PHOSPHOINOSITIDE BINDOMAIN
Ref.: CRYSTAL STRUCTURE OF THE PLECKSTRIN HOMOLOGY DOMAIN TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 1UPR - 4IP C6 H16 O18 P4 [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 1UPR - 4IP C6 H16 O18 P4 [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 1UPR - 4IP C6 H16 O18 P4 [C@H]1([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 4IP; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 4IP 1 1
2 I3P 0.724138 0.966667
3 I3S 0.724138 0.966667
4 5MY 0.714286 0.965517
5 5IP 0.714286 0.965517
6 IP5 0.714286 0.965517
7 I5P 0.714286 0.965517
8 I4P 0.653846 0.965517
9 I0P 0.62069 0.933333
10 ITP 0.6 0.966667
11 2IP 0.571429 0.966667
12 IHP 0.538462 0.965517
13 I6P 0.538462 0.965517
14 IP2 0.533333 0.966667
15 I4D 0.516129 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UPR; Ligand: 4IP; Similar sites found: 198
This union binding pocket(no: 1) in the query (biounit: 1upr.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4IPH 1FJ 0.004567 0.45306 None
2 1O44 852 0.02216 0.43544 None
3 2HFP NSI 0.0126 0.43211 None
4 2BZZ AP5 0.0157 0.42748 None
5 4INI AMP 0.01742 0.41612 None
6 5HX8 66P 0.02173 0.40898 None
7 5A6N U7E 0.03109 0.40556 None
8 4WEY EG6 0.01837 0.4152 1.62602
9 1NC2 DOE 0.008766 0.40099 1.62602
10 4B4U NAP 0.03442 0.40065 1.62602
11 3KA2 2NC 0.009396 0.44252 2.43902
12 2Q4H AMP 0.02549 0.42449 2.43902
13 3BP1 GUN 0.008064 0.41054 2.43902
14 1VPM COA 0.02668 0.40978 2.43902
15 1S1D GP2 0.01579 0.40925 2.43902
16 2Q7D ANP 0.02607 0.40791 2.43902
17 4EXO PYR 0.01237 0.40703 2.43902
18 4I54 1C1 0.03478 0.40505 2.43902
19 2FWP ICR 0.03104 0.40279 2.43902
20 2I0D MUT 0.01057 0.44371 3.0303
21 4EN4 ATP 0.003508 0.46712 3.25203
22 4EN4 GT1 0.003508 0.46712 3.25203
23 4EN4 GT0 0.003508 0.46712 3.25203
24 1ZPT FAD 0.0119 0.45182 3.25203
25 5H2U 1N1 0.004362 0.45169 3.25203
26 1Q7E MET 0.01483 0.43916 3.25203
27 4CYI ATP 0.004263 0.43716 3.25203
28 2ZWI C5P 0.007617 0.43477 3.25203
29 3QXV MTX 0.01144 0.43051 3.25203
30 5FP3 3JI 0.009309 0.42632 3.25203
31 4ASE AV9 0.01631 0.42143 3.25203
32 4BTV RB3 0.01286 0.41922 3.25203
33 4CS4 ANP 0.01606 0.41268 3.25203
34 4CS4 AXZ 0.01961 0.412 3.25203
35 4G9N NGA 0.007396 0.40983 3.25203
36 3T0X DIW 0.04129 0.40115 3.25203
37 4FG8 ATP 0.04722 0.40038 3.25203
38 4ZS4 ATP 0.03881 0.40001 3.25203
39 2OZE AGS 0.02603 0.40755 3.3557
40 2DJH 3PD UM3 0.04261 0.40267 3.47826
41 5D3X 4IP 0.000003564 0.5594 4.06504
42 2WSA MYA 0.01883 0.44997 4.06504
43 2WSA 646 0.01883 0.44997 4.06504
44 5BO9 SIA GAL NGS 0.01874 0.42863 4.06504
45 1F9A ATP 0.009143 0.41991 4.06504
46 3VOT ADP 0.00382 0.41762 4.06504
47 4ITH RCM 0.01143 0.41619 4.06504
48 4YZN 4K5 0.02243 0.41049 4.06504
49 4U82 FPS 0.01735 0.4055 4.06504
50 2YYY NAP 0.03687 0.40549 4.06504
51 5JFT ACE ASP GLU VAL ASP 0QE 0.015 0.40437 4.06504
52 3AKK ADP 0.01426 0.40104 4.06504
53 5VC5 96M 0.03028 0.40069 4.06504
54 1CKM GTP 0.04212 0.40031 4.06504
55 1SU2 ATP 0.002424 0.46471 4.87805
56 3LOO B4P 0.006339 0.44692 4.87805
57 3P4X ADP 0.006225 0.43415 4.87805
58 4BHN BH9 0.009133 0.43265 4.87805
59 1ZSQ PIB 0.008053 0.42167 4.87805
60 4UF0 MMK 0.01494 0.42154 4.87805
61 4ZUL UN1 0.01391 0.41876 4.87805
62 4QHP 32R 0.01598 0.41866 4.87805
63 5UOX 8GY 0.009958 0.41828 4.87805
64 3RFA SAM 0.0107 0.41649 4.87805
65 5BV3 M7G 0.01638 0.41402 4.87805
66 1S4M LUM 0.03497 0.40789 4.87805
67 2GGX NPJ 0.0169 0.40069 4.87805
68 1KQN NAD 0.02991 0.40058 4.87805
69 3A7R LAQ 0.008021 0.46124 5.69106
70 2AMV BIN 0.01918 0.44567 5.69106
71 4RDL FUC GAL NDG FUC 0.004173 0.43358 5.69106
72 4V3C C 0.01026 0.43036 5.69106
73 4RGQ 13P 0.01935 0.424 5.69106
74 5DXT 5H5 0.004202 0.42257 5.69106
75 3IJH KO2 0.01143 0.41877 5.69106
76 1JPA ANP 0.01115 0.41367 5.69106
77 1EHI ADP 0.021 0.41333 5.69106
78 4U0O MTA 0.009159 0.41224 5.69106
79 5FI4 5XV 0.01373 0.40585 5.69106
80 1M0W ANP 0.02512 0.40549 5.69106
81 4BGB ADP 0.0258 0.40239 5.69106
82 2BKK ADP 0.03221 0.4011 5.69106
83 4MKF AP5 0.02785 0.41486 6.45161
84 4ZCW 4NG 0.002436 0.43005 6.50407
85 3O9L LPN 0.03237 0.42768 6.50407
86 2IMP NAI 0.03714 0.42282 6.50407
87 3FXU TSU 0.02137 0.4158 6.50407
88 2I7N ACO 0.01471 0.41095 6.50407
89 2YAK OSV 0.0313 0.40987 6.50407
90 4OTH DRN 0.03714 0.40797 6.50407
91 3V8S 0HD 0.02242 0.4077 6.50407
92 3UA1 08Y 0.03178 0.40612 6.50407
93 1GSA ADP 0.03696 0.40414 6.50407
94 1KOJ PAN 0.004714 0.403 6.50407
95 4WP9 ZDA 0.02067 0.43784 7.31707
96 1EZ0 NAP 0.02817 0.42175 7.31707
97 2YK7 CSF 0.02143 0.41643 7.31707
98 5LXM ADP 0.02193 0.41505 7.31707
99 4N02 FNR 0.02086 0.413 7.31707
100 4C2W ANP 0.01887 0.41075 7.31707
101 4XBA GMP 0.01771 0.40908 7.31707
102 5I35 ANP 0.02343 0.40711 7.31707
103 4XBA 5GP 0.02594 0.40441 7.31707
104 5JFS 6K0 0.04638 0.40367 7.31707
105 3MVH WFE 0.04505 0.40064 7.31707
106 5G1X ADP 0.03168 0.40019 7.31707
107 4HIA FMN 0.0157 0.40675 7.38636
108 2PTZ PAH 0.002076 0.45266 8.13008
109 3WV8 ATP 0.004824 0.44831 8.13008
110 5L13 6ZE 0.02607 0.44015 8.13008
111 2X2M X2M 0.006806 0.43565 8.13008
112 4M20 COA 0.00817 0.43333 8.13008
113 1EBG PAH 0.005617 0.42369 8.13008
114 2OO8 RAJ 0.0134 0.41829 8.13008
115 2AL2 2PG 0.002945 0.41803 8.13008
116 3FGC FMN 0.01764 0.41411 8.13008
117 5HES 032 0.01796 0.40813 8.13008
118 2H8H H8H 0.01191 0.40803 8.13008
119 5JFL NAD 0.03554 0.40712 8.13008
120 4RDI ATP 0.02207 0.40559 8.13008
121 1E7S NAP 0.03459 0.40068 8.13008
122 4X8O AP5 0.02582 0.43492 8.94309
123 1AZT GSP 0.02095 0.42763 8.94309
124 1ZHX HC3 0.01233 0.42563 8.94309
125 4B2Z P5S 0.01032 0.42462 8.94309
126 4OPC PGT 0.04582 0.42434 8.94309
127 4OPC FDA 0.04192 0.42434 8.94309
128 1XDN ATP 0.01077 0.42047 8.94309
129 5W4W 9WG 0.03507 0.40874 8.94309
130 3N1S 5GP 0.02144 0.41418 9.2437
131 1GP6 QUE 0.01412 0.43259 9.7561
132 2WME NAP 0.004918 0.42954 9.7561
133 4ANW O92 0.009558 0.42563 9.7561
134 1GP6 SIN 0.02103 0.42461 9.7561
135 1GP6 DH2 0.02103 0.42461 9.7561
136 2FB3 GTP 0.01295 0.42444 9.7561
137 2FB3 5AD 0.007568 0.42065 9.7561
138 2WOX NDP 0.04238 0.41586 9.7561
139 4WNP 3RJ 0.02689 0.41293 9.7561
140 4YWV SSN 0.01948 0.41286 9.7561
141 1PDZ PGA 0.006007 0.40501 9.7561
142 2FB3 MET 0.03732 0.40078 9.7561
143 4K39 SAM 0.00235 0.46672 10.5691
144 4K38 SAM 0.002949 0.4594 10.5691
145 2V77 PAY 0.007725 0.42321 10.5691
146 3AD8 FAD 0.03907 0.4172 10.5691
147 3AD8 PYC 0.03907 0.4172 10.5691
148 4KVG GTP 0.04354 0.41136 10.5691
149 1MEX RAC 0.005689 0.41107 10.5691
150 1QB7 ADE 0.02049 0.40044 10.5691
151 3EAU PDN 0.0334 0.41654 11.3821
152 4RQL SNE 0.007343 0.41565 11.3821
153 4IYO 0JO 0.01616 0.41404 11.3821
154 5BVE 4VG 0.02023 0.43667 12.1951
155 1D4D SIN 0.004941 0.43236 12.1951
156 4USF 6UI 0.006552 0.42608 12.1951
157 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.04802 0.42108 12.1951
158 2JDR L20 0.04802 0.42108 12.1951
159 4WUJ FMN 0.02928 0.40846 12.1951
160 4CDN FO1 0.03124 0.40808 12.1951
161 2OG7 AHB 0.008303 0.40484 12.1951
162 3C0G 3AM 0.02845 0.40411 12.1951
163 2QE0 NAP 0.002576 0.48208 13.0081
164 3G6K POP 0.01184 0.43589 13.0081
165 3G6K FAD 0.01184 0.43589 13.0081
166 3ZNN 4WL 0.03856 0.41712 13.0081
167 3ZNN FAD 0.03856 0.41712 13.0081
168 2FHK MFN 0.02689 0.4039 13.0081
169 4AGQ P96 0.01926 0.40257 13.0081
170 4B0T ADP 0.03123 0.40094 13.0081
171 4AXD ANP 0.04773 0.40422 13.8211
172 4GJ3 0XP 0.04129 0.40314 13.8211
173 1DY4 SNP 0.01292 0.44921 14.6341
174 1ST0 GTG 0.04134 0.40196 14.6341
175 4HZD COA 0.03074 0.40054 14.6341
176 4LCN GNG 0.01128 0.40358 15.4472
177 4EJN 0R4 0.03401 0.40266 15.4472
178 1UDB NAD 0.03209 0.42859 16.2602
179 1OC2 TDX 0.04434 0.4024 17.0732
180 1OC2 NAD 0.04434 0.4024 17.0732
181 1UNQ 4IP 0.0000005763 0.51942 17.8862
182 1JCM 137 0.001003 0.44985 17.8862
183 3BJK CIT 0.02495 0.40839 17.8862
184 1X54 4AD 0.006865 0.43213 18.6992
185 2HGS ADP 0.0298 0.40302 19.5122
186 2IF8 ADP 0.01644 0.40934 20.3252
187 1W1G 4PT 0.00003187 0.40917 25.2033
188 2GAG FAD 0.02626 0.41976 25.2525
189 2GAG FOA 0.02626 0.41976 25.2525
190 1U29 I3P 0.0000002119 0.66904 28.4553
191 4R84 CSF 0.007727 0.44241 28.4553
192 3L9R L9R 0.04233 0.40275 31.7073
193 2I5F 5IP 0.000004303 0.57367 32.1101
194 5C79 PBU 0.0003151 0.42959 33.3333
195 2R09 4IP 0.00002246 0.54603 34.9594
196 4KAX 4IP 0.00002619 0.52857 34.9594
197 3LJU IP9 0.0002408 0.4511 34.9594
198 2R0D 4IP 0.00003521 0.43258 34.9594
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