Receptor
PDB id Resolution Class Description Source Keywords
1ceb 2.07 Å EC: 3.4.21.7 THE STRUCTURE OF THE NON-COVALENT COMPLEX OF RECOMBINANT KRINGLE 1 DOMAIN OF HUMAN PLASMINOGEN WITH AMCHA (TRANS-4- A MINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID) HOMO SAPIENS SERINE PROTEASE
Ref.: CRYSTAL STRUCTURES OF THE RECOMBINANT KRINGLE 1 DOMAIN OF HUMAN PLASMINOGEN IN COMPLEXES WITH THE LIGANDS EPSILON-AMINOCAPROIC ACID AND TRANS-4-(AMINOMETHYL)CYCLOHEXANE-1-CARBOXYLIC ACID. BIOCHEMISTRY V. 35 2567 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMH A:90;
B:90;
Valid;
Valid;
none;
none;
Ki ~ 1 uM
157.21 C8 H15 N O2 C1CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1CEB 2.07 Å EC: 3.4.21.7 THE STRUCTURE OF THE NON-COVALENT COMPLEX OF RECOMBINANT KRINGLE 1 DOMAIN OF HUMAN PLASMINOGEN WITH AMCHA (TRANS-4- A MINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID) HOMO SAPIENS SERINE PROTEASE
Ref.: CRYSTAL STRUCTURES OF THE RECOMBINANT KRINGLE 1 DOMAIN OF HUMAN PLASMINOGEN IN COMPLEXES WITH THE LIGANDS EPSILON-AMINOCAPROIC ACID AND TRANS-4-(AMINOMETHYL)CYCLOHEXANE-1-CARBOXYLIC ACID. BIOCHEMISTRY V. 35 2567 1996
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1CEA Kd ~ 11 uM ACA C6 H13 N O2 C(CCC(=O)O....
2 1CEB Ki ~ 1 uM AMH C8 H15 N O2 C1CC(CCC1C....
3 4CIK - XO3 C15 H18 N2 O2 c1ccc(cc1)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1CEA Kd ~ 11 uM ACA C6 H13 N O2 C(CCC(=O)O....
2 1CEB Ki ~ 1 uM AMH C8 H15 N O2 C1CC(CCC1C....
3 4CIK - XO3 C15 H18 N2 O2 c1ccc(cc1)....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3KIV Kd = 20 uM ACA C6 H13 N O2 C(CCC(=O)O....
2 2PK4 - ACA C6 H13 N O2 C(CCC(=O)O....
3 1CEA Kd ~ 11 uM ACA C6 H13 N O2 C(CCC(=O)O....
4 1CEB Ki ~ 1 uM AMH C8 H15 N O2 C1CC(CCC1C....
5 4CIK - XO3 C15 H18 N2 O2 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AMH; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 AMH 1 1
2 L14 0.52 0.615385
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1CEB; Ligand: AMH; Similar sites found: 15
This union binding pocket(no: 1) in the query (biounit: 1ceb.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4MNS 2AX 0.01299 0.43922 None
2 4TW7 37K 0.02529 0.4067 None
3 4B7P 9UN 0.03045 0.40176 None
4 5JSD ACY 1GN GAL 1GN BGC ACY GAL BGC 0.01351 0.40541 4.54545
5 4LWA Q13 0.01758 0.42363 5.68182
6 2GCE RFC 0.03272 0.42202 5.68182
7 2IFW ACE PHE LYS PHE PSA LEU AAR 0.01391 0.42739 6.81818
8 2ZX7 ZX7 0.008409 0.41143 6.81818
9 2ZPA ADP 0.009056 0.42032 7.95455
10 5ISY NAD 0.007472 0.413 7.95455
11 4YHB FAD 0.01466 0.42649 9.09091
12 3DEK RXD 0.01893 0.40909 9.09091
13 1H8P PC 0.003567 0.40151 9.09091
14 2PNZ UDP 0.04084 0.41299 10.2273
15 4ZL4 4PK 0.0181 0.40473 12.5
Pocket No.: 2; Query (leader) PDB : 1CEB; Ligand: AMH; 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: 1ceb.bio2) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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