Receptor
PDB id Resolution Class Description Source Keywords
2P3V 2.4 Å EC: 3.1.3.25 THERMOTOGA MARITIMA IMPASE TM1415 THERMOTOGA MARITIMA INOSITOL PHOSPHATASE ASYMMETRIC TETRAMER HYDROLASE
Ref.: CRYSTAL STRUCTURE OF THE TETRAMERIC INOSITOL 1-PHOS PHOSPHATASE (TM1415) FROM THE HYPERTHERMOPHILE, THE MARITIMA. FEBS J. V. 274 2461 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SRT B:4501;
B:4502;
C:4504;
D:4503;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
150.087 C4 H6 O6 [C@H]...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2P3V 2.4 Å EC: 3.1.3.25 THERMOTOGA MARITIMA IMPASE TM1415 THERMOTOGA MARITIMA INOSITOL PHOSPHATASE ASYMMETRIC TETRAMER HYDROLASE
Ref.: CRYSTAL STRUCTURE OF THE TETRAMERIC INOSITOL 1-PHOS PHOSPHATASE (TM1415) FROM THE HYPERTHERMOPHILE, THE MARITIMA. FEBS J. V. 274 2461 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2P3V - SRT C4 H6 O6 [C@H]([C@H....
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 2P3V - SRT C4 H6 O6 [C@H]([C@H....
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 2P3V - SRT C4 H6 O6 [C@H]([C@H....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SRT; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 SRT 1 1
2 TLA 1 1
3 TAR 1 1
4 RAT 0.588235 1
5 GAE 0.588235 1
6 LGT 0.588235 1
7 LAC 0.5 0.611111
8 2OP 0.5 0.611111
9 IPM 0.47619 0.8
10 LFC 0.434783 0.777778
11 ICT 0.416667 0.727273
12 DXX 0.411765 0.777778
13 MAK 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2P3V; Ligand: SRT; Similar sites found: 105
This union binding pocket(no: 1) in the query (biounit: 2p3v.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PR9 NAP 0.01066 0.43577 None
2 3D3W NAP 0.01189 0.43334 None
3 1PZ1 NAP 0.04791 0.40242 0.78125
4 1VM6 NAD 0.03211 0.40899 0.877193
5 4E13 NAD 0.03419 0.40156 1.17188
6 3B20 NAD 0.02468 0.412 1.5625
7 2PLK P3D 0.01132 0.42197 1.95312
8 1OMO NAD 0.02259 0.41319 1.95312
9 1GV0 NAD 0.03536 0.41103 1.95312
10 2C31 TZD 0.03262 0.43937 2.34375
11 2C31 ADP 0.03198 0.43937 2.34375
12 3RIY NAD 0.02322 0.41944 2.34375
13 1JXZ BCA 0.02047 0.41923 2.34375
14 1YS4 NAP 0.01841 0.41832 2.34375
15 2YYY NAP 0.02212 0.41761 2.34375
16 4TQG NDP 0.03247 0.40737 2.34375
17 4L8V NAP 0.03886 0.40645 2.34375
18 4LH7 1X8 0.01262 0.40173 2.34375
19 5MDH NAD 0.04543 0.40135 2.34375
20 1K3T BRZ 0.02344 0.42315 2.73438
21 3DLS ADP 0.007394 0.42166 2.73438
22 2C49 ANP 0.01589 0.41357 2.73438
23 3GGO NAI 0.04887 0.41271 2.73438
24 3GGO ENO 0.04887 0.41271 2.73438
25 4NKT 2KH 0.01435 0.41161 2.73438
26 3JQ8 NAP 0.02854 0.41099 2.73438
27 3JQ9 NAP 0.02707 0.40912 2.73438
28 3CIF NAD 0.03608 0.40803 2.73438
29 3WLE NAD 0.04396 0.40801 2.73438
30 5AYV NAP 0.03699 0.40108 2.73438
31 3KB6 NAD 0.04841 0.401 2.73438
32 1KDO C 0.01592 0.41654 3.0837
33 5XDT MB3 0.02584 0.4157 3.125
34 1O6Z NAD 0.03061 0.40745 3.125
35 1GAD NAD 0.03623 0.40615 3.125
36 1NE7 AGP 0.01759 0.40322 3.125
37 1Q0S SAH 0.03369 0.40197 3.125
38 1DR1 NAP 0.04937 0.40881 3.1746
39 1PS9 FAD 0.02871 0.42425 3.51562
40 9LDT NAD 0.0311 0.41584 3.51562
41 1GUZ NAD 0.03813 0.40757 3.51562
42 2ZEJ GDP 0.032 0.40436 3.80435
43 1GPM CIT 0.003591 0.41566 3.90625
44 2A92 NAI 0.04468 0.40735 3.90625
45 1CF2 NAP 0.03603 0.40627 3.90625
46 2X61 NGA GAL SIA 0.03746 0.40144 3.90625
47 2X61 CH 0.01786 0.40076 3.90625
48 4AT0 FAD 0.04817 0.41337 4.29688
49 3L4S 3PG 0.0369 0.41155 4.29688
50 3L4S NAD 0.03534 0.41155 4.29688
51 5FBN 5WF 0.04058 0.408 4.29688
52 1MLY ACZ PLP 0.02248 0.40471 4.29688
53 4GQB 0XU 0.03345 0.40183 4.29688
54 4M7V RAR 0.04021 0.42129 4.57143
55 4J1Q NDP 0.01671 0.42566 4.6875
56 1EBF NAD 0.03111 0.409 4.6875
57 1LDN NAD 0.03771 0.40807 4.6875
58 1DSS NAD 0.03408 0.40594 4.6875
59 1B8U OAA 0.04713 0.40457 4.6875
60 1B8U NAD 0.02773 0.40457 4.6875
61 3W8X FAD 0.02361 0.43214 4.70085
62 1LSS NAD 0.02808 0.4071 5
63 4AOA IK2 0.01811 0.40932 5.07812
64 1KRH FAD 0.01689 0.40873 5.07812
65 2RHW C0E 0.04504 0.40159 5.07812
66 1SOW NAD 0.03626 0.4132 5.46875
67 1ZEM NAD 0.03614 0.4065 5.46875
68 1ZC3 GNP 0.0301 0.40599 6.19469
69 2OWZ F6P 0.0008244 0.47534 6.25
70 2Q8M FBP 0.002834 0.44929 6.25
71 3QVP FAD 0.01149 0.44689 6.25
72 4JK3 NAD 0.02735 0.4142 6.25
73 3RSC TYD 0.009414 0.42801 6.50602
74 1QX4 FAD 0.02645 0.41561 6.64062
75 1KYQ NAD 0.01992 0.40961 6.64062
76 1NW5 SAM 0.02626 0.40235 6.64062
77 4IVG ANP 0.02879 0.40223 6.64062
78 2JK0 ASP 0.01288 0.40215 6.64062
79 3IAA TYD 0.009257 0.42459 6.73077
80 3M6P BB2 0.01814 0.40794 6.73575
81 1UXG NAD 0.04617 0.4103 6.79612
82 3ZQ6 ADP ALF 0.01205 0.42659 7.03125
83 3D1R FBP 0.01518 0.40888 7.03125
84 3WYF GTP 0.03188 0.40478 7.30594
85 3FMI KAP 0.03654 0.40062 7.56972
86 1V8B NAD 0.04399 0.41188 7.8125
87 2DFV NAD 0.02964 0.40821 7.8125
88 2Q28 ADP 0.02087 0.40592 8.20312
89 3F5O UOC COA 0.03864 0.40308 8.78378
90 3Q9T FAY 0.02842 0.42228 8.98438
91 1NZY BCA 0.01964 0.41993 8.98438
92 3HY3 10F 0.02142 0.41221 9.35961
93 3HGM ATP 0.0242 0.40679 9.52381
94 5EXK MET 0.004994 0.42278 10.5469
95 2VYN NAD 0.03392 0.4106 10.5469
96 4PLG NAI 0.04177 0.41456 10.9375
97 2FNU PMP UD1 0.04963 0.40443 10.9375
98 4NAT 2W5 0.03865 0.41328 11.25
99 5UIU 8CG 0.007054 0.44684 11.7188
100 3A9Y CYS 0.005722 0.41761 12.8906
101 3N6M GTP 0.01508 0.40285 14.0625
102 4RKX 3S9 0.01396 0.4042 16.8582
103 1W8S FBP 0.006356 0.43075 17.1103
104 5DJH AMP 0.00003669 0.42063 35.5469
105 1JP4 AMP 0.006498 0.42837 37.5
Pocket No.: 2; Query (leader) PDB : 2P3V; Ligand: SRT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2p3v.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2P3V; Ligand: SRT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2p3v.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2P3V; Ligand: SRT; 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: 2p3v.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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