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Receptor
PDB id Resolution Class Description Source Keywords
3V0H 1.85 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF CIONA INTESTINALIS VOLTAGE SENSOR-CONTA PHOSPHATASE (CI-VSP), RESIDUES 241-576(C363S), COMPLEXED WII NOSITOL-1,4,5-TRIPHOSPHATE CIONA INTESTINALIS PTP C2 PHOSPHATASE HYDROLASE
Ref.: A GLUTAMATE SWITCH CONTROLS VOLTAGE-SENSITIVE PHOSP FUNCTION. NAT.STRUCT.MOL.BIOL. V. 19 633 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
I3P A:1;
A:2;
B:3;
B:4;
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
3V0H 1.85 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF CIONA INTESTINALIS VOLTAGE SENSOR-CONTA PHOSPHATASE (CI-VSP), RESIDUES 241-576(C363S), COMPLEXED WII NOSITOL-1,4,5-TRIPHOSPHATE CIONA INTESTINALIS PTP C2 PHOSPHATASE HYDROLASE
Ref.: A GLUTAMATE SWITCH CONTROLS VOLTAGE-SENSITIVE PHOSP FUNCTION. NAT.STRUCT.MOL.BIOL. V. 19 633 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 3V0H - 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 3V0H - 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 173 families.
1 3V0H - 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 : 3V0H; 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: 1) in the query (biounit: 3v0h.bio2) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3V0H; Ligand: I3P; Similar sites found with APoc: 121
This union binding pocket(no: 2) in the query (biounit: 3v0h.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3HVJ 705 1.35747
2 5YB7 FAD 1.47493
3 5YB7 ORN 1.47493
4 6AMI TRP 1.47493
5 3ENV ABF 2.12766
6 3GCZ SAM 2.12766
7 1ZBQ NAD 2.14067
8 4A3X LAT 2.20264
9 1NYT NAP 2.21402
10 5ULP KB1 2.23881
11 4LH0 GLV 2.35988
12 1J0D 5PA 2.35988
13 2HK9 NAP 2.54545
14 1H82 FAD 2.65487
15 1H82 GZZ 2.65487
16 5ERR ADP 2.65487
17 4GIM PSU 2.65487
18 4USQ FAD 2.65487
19 1XKV ATP 2.65487
20 5IRR GSP 2.92208
21 4D7E FAD 2.94985
22 2OG2 MLI 2.94985
23 4FWE FAD 2.94985
24 1DDG FAD 2.94985
25 5CJH 522 2.94985
26 4X1Z FUC GAL NDG 3.01205
27 2VVM FAD 3.24484
28 2VVL FAD 3.24484
29 2BJK NAD 3.24484
30 1TQ4 GDP 3.24484
31 5Z21 NAI 3.24484
32 2X2T GAL NGA 3.26797
33 3B9Q MLI 3.31126
34 1MVQ MMA 3.38983
35 3LKZ SFG 3.42679
36 5A0R ACE GLU VAL ASN PRO 3.53535
37 5V2J UDP 3.53982
38 5V2J 7WV 3.53982
39 1OFU GDP 3.75
40 2QE0 NAP 3.83481
41 5JJR SAH 3.83481
42 5JIC ADP 3.83481
43 3F6R FMN 4.05405
44 3NTD FAD 4.12979
45 2P41 SAH 4.2623
46 4KYQ FLC 4.32692
47 3SIG AR6 4.33213
48 1CX9 NHP 4.42478
49 1JDC GLC GLC GLC GLC 4.42478
50 3KB6 NAD 4.49102
51 5KQG 6VX 4.49438
52 1PA9 CSN 4.57746
53 4REP FAD 4.71976
54 1I3U RR1 4.72441
55 3EVG SAH 4.72727
56 1OBV FMN 4.73373
57 5LW0 AR6 4.7619
58 3KAP FMN 4.7619
59 3KYG 5GP 5GP 4.84582
60 5DI3 GNP 4.86486
61 4YC7 GNP 4.97238
62 3IAE D7K 5.01475
63 1E8G FCR 5.01475
64 1E8G FAD 5.01475
65 4BMO FMN 5.04202
66 5I34 GDP 5.30973
67 1QO8 FAD 5.30973
68 3C3N FMN 5.44872
69 2XB8 XNW 5.47945
70 3WYG GTP 5.49451
71 3T1O GDP 5.55556
72 6G96 ACO 5.68182
73 1RQ2 CIT 5.8997
74 6HOY AR6 5.96026
75 6FLZ MMA 6.25
76 5N6C NAD 6.33333
77 6BYF CIT 6.47059
78 1NVT NAP 6.48968
79 1U26 IHS 6.82493
80 1P9B GDP 7.07965
81 5M3E APR 7.27273
82 3IID APR 7.58294
83 5O4J SAH 7.66423
84 3ELW SAM 7.66667
85 3ELW GP3 7.66667
86 4YRY FAD 7.66962
87 5DEP UD1 7.75194
88 6FRN FMN 7.80488
89 2BES RES 8.13953
90 3EVF GTA 8.30325
91 3EVF SAH 8.30325
92 4A0S NAP 8.55457
93 3P9Y N7P THR SEP PRO SER TYR SET 8.58586
94 4GE6 B26 8.59873
95 1YRB GDP 9.16031
96 5Z2L NDP 9.38776
97 5OVX AY5 9.5082
98 4J51 N75 10.1227
99 3O5X JZG 10.1449
100 1N62 FAD 10.241
101 2KIN ADP 10.5042
102 1ZSQ PIB 10.6195
103 3O2Q PRO THR SEP PRO SER TYR 10.6195
104 2V58 LZJ 10.6195
105 2H04 4UN 10.8626
106 2DC1 NAD 11.4407
107 1D1Q 4NP 11.8012
108 2QWO ADP 11.9565
109 2OHH FMN 12.0944
110 5HZ9 5M8 12.5926
111 2QXX TTP 12.6316
112 4WOH 4NP 12.6506
113 2CNE DFJ 15.1316
114 4ZLU 4PW 15.3392
115 4ZLU ADP 15.3392
116 3F81 STT 16.3934
117 2IMG MLT 19.8675
118 1FIQ SAL 21.0046
119 1FIQ MTE 21.0046
120 4L7I SAM 24.1888
121 3RGQ 5P5 25.641
Pocket No.: 3; Query (leader) PDB : 3V0H; Ligand: I3P; Similar sites found with APoc: 1
This union binding pocket(no: 3) in the query (biounit: 3v0h.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
1 4FJU NAI 3.24484
Pocket No.: 4; Query (leader) PDB : 3V0H; Ligand: I3P; Similar sites found with APoc: 18
This union binding pocket(no: 4) in the query (biounit: 3v0h.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4XFR CIT 2.35988
2 6HH6 A3R 2.35988
3 5FSY AR6 2.63158
4 1GWN GTP 3.41463
5 2DBZ NAP 3.59281
6 5JIC N7E 3.83481
7 6BII NAP 4.2042
8 2ZXI FAD 4.42478
9 4CDN FAD 4.71976
10 2GKS ADP 5.01475
11 2YVK MRU 5.30973
12 4J75 TYM 5.30973
13 5G5G FAD 5.66038
14 3DOE GTP 7.87879
15 4J5R A1R 8.21918
16 2IID FAD 8.25959
17 2IID PHE 8.25959
18 2XD9 XD9 13.1737
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