Receptor
PDB id Resolution Class Description Source Keywords
1AWB 2.5 Å EC: 3.1.3.25 HUMAN MYO-INOSITOL MONOPHOSPHATASE IN COMPLEX WITH D- INOSITOL-1-PHOSPHATE AND CALCIUM HOMO SAPIENS HYDROLASE MYO-INOSITOL PHOSPHATASE
Ref.: STRUCTURE OF AN ENZYME-SUBSTRATE COMPLEX AND THE CATALYTIC MECHANISM OF HUMAN BRAIN MYO-INOSITOL MONOPHOSPHATASE PROTEIN ENG. V. 10 61 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1;
A:278;
A:279;
B:278;
B:279;
B:280;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
CL A:280;
B:281;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
IPD A:281;
B:1;
Valid;
Valid;
none;
none;
submit data
258.12 C6 H11 O9 P C1(C(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1IMB 2.2 Å EC: 3.1.3.25 STRUCTURAL ANALYSIS OF INOSITOL MONOPHOSPHATASE COMPLEXES WI SUBSTRATES HOMO SAPIENS HYDROLASE
Ref.: STRUCTURAL ANALYSIS OF INOSITOL MONOPHOSPHATASE COM WITH SUBSTRATES. BIOCHEMISTRY V. 33 9460 1994
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1IMA - IPD C6 H11 O9 P C1(C(C(C(C....
2 1IMB - LIP C6 H11 O9 P C1(C(C(C(C....
3 1AWB - IPD C6 H11 O9 P C1(C(C(C(C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1IMA - IPD C6 H11 O9 P C1(C(C(C(C....
2 1IMB - LIP C6 H11 O9 P C1(C(C(C(C....
3 1AWB - IPD C6 H11 O9 P C1(C(C(C(C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1IMA - IPD C6 H11 O9 P C1(C(C(C(C....
2 1IMB - LIP C6 H11 O9 P C1(C(C(C(C....
3 1AWB - IPD C6 H11 O9 P C1(C(C(C(C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IPD; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 IPD 1 1
2 LIP 1 1
3 I4D 0.571429 0.9
4 ITP 0.451613 0.870968
5 IP2 0.433333 0.870968
6 2IP 0.413793 0.870968
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1IMB; Ligand: LIP; Similar sites found: 28
This union binding pocket(no: 1) in the query (biounit: 1imb.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 2Q8M FBP 2.2e-06 0.56584
2 1KA1 A3P 5.698e-06 0.54398
3 1JP4 AMP 1.599e-05 0.5268
4 2OWZ F6P 2.525e-05 0.52059
5 2OWZ F6P 2.525e-05 0.52059
6 3P7G MAN 0.005105 0.42641
7 3NY3 ARG ILE PHE SER 0.006278 0.42327
8 4D0Z BBK 0.00899 0.42252
9 3D1R FBP 0.005151 0.41506
10 4D0Z BBK 0.01151 0.41304
11 4D0Z BBK 0.01216 0.41253
12 4PQG NAG 0.009202 0.41195
13 2GGX NPJ 0.01268 0.41153
14 4D0Z BBK 0.01226 0.4115
15 4NES UDP 0.006524 0.41049
16 2GAG NAD 0.02311 0.40907
17 3FC4 EDO 0.04114 0.40837
18 3FC4 EDO 0.04114 0.40837
19 1WZU MLT 0.01428 0.40709
20 4PQG NAG 0.009743 0.40637
21 4PQG NAG 0.009743 0.40637
22 2CI5 HCS 0.01697 0.40557
23 4NYT PC 0.006946 0.40551
24 3WH2 FLC 0.01457 0.40535
25 3NJ4 AFX 0.04694 0.40332
26 2OVW CBI 0.01729 0.40292
27 4O48 ASP 0.01953 0.40163
28 2UYN 2KT 0.01719 0.40027
Pocket No.: 2; Query (leader) PDB : 1IMB; Ligand: LIP; 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: 1imb.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
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