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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+...
View in 3D viewer
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 22 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: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 SIN ALA PRO ALA NIT 1 1
2 SIN ALA ALA PRO PHE NIT 0.603604 0.970149
3 SIN ALA LEU PRO PHE NIT 0.495868 0.927536
4 ALA DAL PRO PHE NIT 0.464286 0.925373
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 with APoc: 40
This union binding pocket(no: 1) in the query (biounit: 1lop.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 4DOO DAO None
2 5VL2 9EG None
3 5ETJ IM5 1.82927
4 3B4Y F42 1.82927
5 6APV 3L4 3.04878
6 2E56 MYR 3.47222
7 5BU3 4W9 3.65854
8 4DK7 0KS 3.65854
9 3RDE OYP 3.65854
10 4OCJ NDG 3.65854
11 2WK9 PLP 3.65854
12 2WK9 PLG 3.65854
13 1JGU HBC 3.65854
14 4BVM VCA 3.7594
15 5J7X FAD 4.26829
16 5BUK FAD 4.26829
17 4CS4 AXZ 4.26829
18 1RQ2 CIT 4.26829
19 5AVF TAU 4.26829
20 2NYA MGD 4.87805
21 4PYW ACE THR THR ALA ILE NH2 5.4878
22 1PZM 5GP 5.4878
23 4XYB NDP 6.09756
24 2VJ8 HA2 6.09756
25 4XSU UDP 6.09756
26 4YHO 4CC 6.09756
27 3EKK GS2 6.09756
28 4R5Z SIN 6.09756
29 5JGA 6KC 6.70732
30 5C5H 4YB 7.31707
31 3FN0 TRP ASN TRP PHE ASP ILE THR ASN LYS 7.79221
32 1LGT BP3 7.92683
33 3UN3 G16 8.53659
34 6AC9 ANP 9.14634
35 2YG2 S1P 11.5854
36 5BX3 NOJ 11.5854
37 4X7Q 3YR 14.6341
38 4E5N NAD 16.4634
39 3OJI PYV 16.4634
40 4WB7 ATP 35
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