Receptor
PDB id Resolution Class Description Source Keywords
1LOP 1.8 Å EC: 5.2.1.8 CYCLOPHILIN A COMPLEXED WITH SUCCINYL-ALA-PRO-ALA-P-NITROANI ESCHERICHIA COLI ROTAMASE ISOMERASE-ISOMERASE INHIBITOR COMPLEX
Ref.: THE SUBSTRATE-BINDING SITE IN ESCHERICHIA COLI CYCL PREFERABLY RECOGNIZES A CIS-PROLINE ISOMER OR A HIG DISTORTED FORM OF THE TRANS ISOMER. J.MOL.BIOL. V. 256 897 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SIN ALA PRO ALA NIT B:0;
Valid;
none;
submit data
477.474 n/a O=[N+...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1LOP 1.8 Å EC: 5.2.1.8 CYCLOPHILIN A COMPLEXED WITH SUCCINYL-ALA-PRO-ALA-P-NITROANI ESCHERICHIA COLI ROTAMASE ISOMERASE-ISOMERASE INHIBITOR COMPLEX
Ref.: THE SUBSTRATE-BINDING SITE IN ESCHERICHIA COLI CYCL PREFERABLY RECOGNIZES A CIS-PROLINE ISOMER OR A HIG DISTORTED FORM OF THE TRANS ISOMER. J.MOL.BIOL. V. 256 897 1996
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 1LOP - SIN ALA PRO ALA NIT n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1LOP - SIN ALA PRO ALA NIT n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1VAI - ACE ALA ALA PRO ALA MCM n/a n/a
2 1V9T - SIN ALA PRO ALA NIT n/a n/a
3 1LOP - SIN ALA PRO ALA NIT n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIN ALA PRO ALA NIT; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 SIN ALA PRO ALA NIT 1 1
2 SIN ALA ALA PRO PHE NIT 0.603604 0.954545
3 SIN ALA LEU PRO PHE NIT 0.573913 0.926471
4 ALA DAL PRO PHE NIT 0.482143 0.909091
5 ACE ALA PRO ALA 0.433333 0.698413
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1LOP; Ligand: SIN ALA PRO ALA NIT; Similar sites found: 13
This union binding pocket(no: 1) in the query (biounit: 1lop.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5BU3 4W9 0.01298 0.41821 3.65854
2 1JGU HBC 0.01538 0.40121 3.65854
3 4BVM VCA 0.009175 0.42983 3.7594
4 5J7X FAD 0.02278 0.42921 4.26829
5 5BUK FAD 0.04449 0.41165 4.26829
6 4CS4 AXZ 0.03659 0.40866 4.26829
7 4N70 2HX 0.03116 0.42455 5.4878
8 4PYW ACE THR THR ALA ILE NH2 0.02635 0.41085 5.4878
9 2GJ5 VD3 0.04625 0.40891 5.55556
10 4XSU UDP 0.02201 0.40978 6.09756
11 4YHO 4CC 0.01457 0.4083 6.09756
12 5C5H 4YB 0.01446 0.42574 7.31707
13 5BX3 NOJ 0.01359 0.40184 11.5854
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