Receptor
PDB id Resolution Class Description Source Keywords
1MAI 1.9 Å EC: 3.1.4.11 STRUCTURE OF THE PLECKSTRIN HOMOLOGY DOMAIN FROM PHOSPHOLIPASE C DELTA IN COMPLEX WITH INOSITOL T RISPHOSPHATE RATTUS NORVEGICUS PLECKSTRIN PHOSPHOLIPASE INOSITOL TRISPHOSPHATE SIGNAL TRANSDUCTION PROTEIN HYDROLASE
Ref.: STRUCTURE OF THE HIGH AFFINITY COMPLEX OF INOSITOL TRISPHOSPHATE WITH A PHOSPHOLIPASE C PLECKSTRIN HOMOLOGY DOMAIN. CELL(CAMBRIDGE,MASS.) V. 83 1037 1995
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
I3P A:200;
Valid;
none;
Kd = 210 nM
420.096 C6 H15 O15 P3 [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1MAI 1.9 Å EC: 3.1.4.11 STRUCTURE OF THE PLECKSTRIN HOMOLOGY DOMAIN FROM PHOSPHOLIPASE C DELTA IN COMPLEX WITH INOSITOL T RISPHOSPHATE RATTUS NORVEGICUS PLECKSTRIN PHOSPHOLIPASE INOSITOL TRISPHOSPHATE SIGNAL TRANSDUCTION PROTEIN HYDROLASE
Ref.: STRUCTURE OF THE HIGH AFFINITY COMPLEX OF INOSITOL TRISPHOSPHATE WITH A PHOSPHOLIPASE C PLECKSTRIN HOMOLOGY DOMAIN. CELL(CAMBRIDGE,MASS.) V. 83 1037 1995
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1MAI Kd = 210 nM 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 5 families.
1 1MAI Kd = 210 nM 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 4 families.
1 1MAI Kd = 210 nM 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 : 1MAI; Ligand: I3P; Similar sites found: 135
This union binding pocket(no: 1) in the query (biounit: 1mai.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3WUC GLC GAL 0.006195 0.44588 None
2 2NTK IMP 0.009513 0.42549 None
3 4CNK FAD 0.03126 0.42077 None
4 4ZSI GLP 0.009417 0.41961 None
5 5D3X 4IP 0.004865 0.41141 None
6 2O3Z AI7 0.02579 0.41025 None
7 5UFQ GNP 0.03203 0.40585 None
8 3EEB IHP 0.01636 0.40573 None
9 4M1U MBG A2G 0.04044 0.40458 None
10 5X62 SAH 0.02078 0.40398 None
11 5IXG OTP 0.03656 0.40305 None
12 2DX7 CIT 0.02459 0.40241 None
13 2BOS GLA GAL GLC 0.01292 0.40148 None
14 2BOS GLA GAL GLC NBU 0.013 0.40132 None
15 3FRH SAH 0.03449 0.40069 None
16 3WLE NAD 0.04144 0.40442 1.52672
17 3ICR FAD 0.01015 0.43627 2.29008
18 3ICS FAD 0.01103 0.43534 2.29008
19 4GCZ ADP 0.01381 0.42047 2.29008
20 1EKO NAP 0.04785 0.41969 2.29008
21 1EKO I84 0.04929 0.41969 2.29008
22 3ICT FAD 0.02969 0.41734 2.29008
23 5AGR A52 0.01886 0.41515 2.29008
24 4MO2 FDA 0.008725 0.45447 3.05344
25 3DJF BC3 0.006529 0.43067 3.05344
26 5TTJ FAD 0.0329 0.41443 3.05344
27 1V47 ADX 0.03226 0.40962 3.05344
28 5ALC TIQ 0.02551 0.40442 3.05344
29 3FV1 DYH 0.02744 0.40369 3.05344
30 3BWN PMP 0.02223 0.40015 3.05344
31 1LFD GNP 0.04938 0.40232 3.44828
32 3FON VAL ASN ASP ILE PHE GLU ALA ILE 0.00404 0.46201 3.81679
33 1ZUA NAP 0.04314 0.43328 3.81679
34 1ZUA TOL 0.04314 0.43328 3.81679
35 3CH6 311 0.03567 0.41959 3.81679
36 3CH6 NAP 0.03567 0.41959 3.81679
37 2ZKJ ADP 0.0461 0.41198 3.81679
38 1TLL FMN 0.02721 0.40925 3.81679
39 2Y6Q FAD 0.04287 0.40012 3.81679
40 2DJH 3PD UM3 0.02481 0.40126 4.34783
41 1I8T FAD 0.0064 0.4636 4.58015
42 3A0T ADP 0.006395 0.44398 4.58015
43 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 0.01086 0.43758 4.58015
44 1FRB ZST 0.0353 0.42694 4.58015
45 3PGU OLA 0.004801 0.42466 4.58015
46 4LZJ 22H 0.02286 0.41727 4.58015
47 5JCM NAD 0.04266 0.41572 4.58015
48 5JCM FAD 0.0418 0.41572 4.58015
49 5JCM ISD 0.04266 0.41572 4.58015
50 5DJ3 5DK 0.02241 0.41212 4.58015
51 5BVA FAD 0.03813 0.41127 4.58015
52 1DQX BMP 0.02006 0.40522 4.58015
53 2VOT NHV 0.01593 0.40235 4.58015
54 2F5Z FAD 0.0009357 0.51331 5.34351
55 3RNM FAD 0.00146 0.50023 5.34351
56 1V59 FAD 0.01316 0.44013 5.34351
57 5U8U FAD 0.02511 0.42846 5.34351
58 1PN0 IPH 0.0373 0.42205 5.34351
59 1PN0 FAD 0.03631 0.42205 5.34351
60 1IOW ADP 0.02921 0.40458 5.34351
61 1IOW PHY 0.02921 0.40458 5.34351
62 3UBM COA 0.03846 0.40444 5.34351
63 4GQB 0XU 0.0414 0.40436 5.34351
64 1JJE BYS 0.03249 0.40065 5.34351
65 5IDM ANP 0.0133 0.41981 6.10687
66 3NGL NAP 0.0225 0.41653 6.10687
67 2HQM FAD 0.03453 0.41631 6.10687
68 3WCZ NAP 0.03604 0.41457 6.10687
69 3O0Q TTP 0.04398 0.40962 6.10687
70 3O0Q GDP 0.0449 0.40962 6.10687
71 3O0Q ADN 0.0449 0.40962 6.10687
72 4BKJ STI 0.01397 0.40816 6.10687
73 3DNT ATP 0.02537 0.40659 6.10687
74 4RPL 3UC 0.00823 0.47887 6.87023
75 4RPL FAD 0.01151 0.46457 6.87023
76 2AEB ABH 0.003655 0.44293 6.87023
77 4BV6 FAD 0.02323 0.43066 6.87023
78 3CV7 C2U 0.03164 0.4296 6.87023
79 3CV7 NAP 0.03055 0.4296 6.87023
80 4FWE FAD 0.02996 0.42453 6.87023
81 1M15 ARG 0.02856 0.42332 6.87023
82 1M15 ADP 0.02856 0.42332 6.87023
83 4GUT FAD 0.04235 0.41558 6.87023
84 1KOJ PAN 0.01311 0.41363 6.87023
85 2DKH FAD 0.03724 0.40656 6.87023
86 2DKH 3HB 0.04619 0.40656 6.87023
87 3KLJ FAD 0.04228 0.40363 6.87023
88 2YMZ LAT 0.01524 0.40112 6.92308
89 5BR7 FAD 0.01194 0.4585 7.63359
90 5BR7 FLC 0.01194 0.4585 7.63359
91 4REP FAD 0.01531 0.43666 7.63359
92 4MAF ADX 0.02699 0.41073 7.63359
93 5IE3 OXD 0.03944 0.40472 7.63359
94 5IE3 AMP 0.03944 0.40472 7.63359
95 2VVM FAD 0.01463 0.44157 8.39695
96 2BRY FAD 0.02356 0.42046 8.39695
97 4TXI FAD 0.02448 0.41948 8.39695
98 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.00938 0.44365 9.16031
99 1R2Q GNP 0.03913 0.40994 9.16031
100 1TU3 GNP 0.03396 0.40594 9.16031
101 4Z5W TYS ILE TYS THR GLN 0.02361 0.40018 9.16031
102 3D78 NBB 0.02613 0.40691 9.2437
103 1QO8 FAD 0.04346 0.41408 9.92366
104 1RP0 AHZ 0.0359 0.40918 9.92366
105 5LFV SIA GAL NAG 0.006748 0.40619 9.92366
106 5L95 AMP 0.02068 0.4099 10
107 3IHG FAD 0.01494 0.41988 10.687
108 1XHC FAD 0.01865 0.43001 11.4504
109 1RF6 S3P 0.02058 0.41569 11.4504
110 5FAL COA 0.03839 0.41336 11.4504
111 5FAL SKT 0.03839 0.41336 11.4504
112 1RF6 GPJ 0.02456 0.41132 11.4504
113 4HMT FMN 0.0376 0.4008 11.4504
114 5K5Z ANP 0.02123 0.40025 11.4504
115 5MZI FAD 0.03062 0.43259 12.2137
116 5MZI FYK 0.03132 0.43259 12.2137
117 5IXH OTP 0.008873 0.44985 12.9771
118 2DFV NAD 0.03649 0.40384 12.9771
119 1RSG FAD 0.01779 0.44096 13.7405
120 1YY5 FAD 0.02311 0.43531 13.7405
121 3JQ3 ADP 0.01127 0.41377 13.7405
122 1YKJ PHB 0.01412 0.45329 14.5038
123 1YKJ FAD 0.01412 0.45329 14.5038
124 2PQB GG9 0.02695 0.40701 14.5038
125 3S5W FAD 0.03595 0.40599 14.5038
126 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 0.0128 0.452 16.3265
127 2GVC FAD 0.03372 0.41688 16.7939
128 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 0.03087 0.41734 17
129 2X4T ASN LEU VAL PRW MET VAL ALA THR VAL 0.02132 0.41138 17
130 2XVF FAD 0.03856 0.411 19.084
131 3EYA TDP 0.04025 0.40569 19.8473
132 3X0D SAH 0.02458 0.40781 21.374
133 1W1G 4PT 0.0003765 0.40622 21.374
134 3ZY6 GFB 0.01007 0.43741 22.1374
135 3D36 ADP 0.01903 0.41823 34.7826
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