Receptor
PDB id Resolution Class Description Source Keywords
1LAN 1.9 Å EC: 3.4.11.1 LEUCINE AMINOPEPTIDASE COMPLEX WITH L-LEUCINAL BOS TAURUS AMINOPEPTIDASE EXOPEPTIDASE METALLOPEPTIDASE HYDROLASE (AAMINOACYLPEPTIDE)
Ref.: TWO-METAL ION MECHANISM OF BOVINE LENS LEUCINE AMINOPEPTIDASE: ACTIVE SITE SOLVENT STRUCTURE AND B MODE OF L-LEUCINAL, A GEM-DIOLATE TRANSITION STATE BY X-RAY CRYSTALLOGRAPHY. BIOCHEMISTRY V. 34 14792 1995
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LEU A:500;
Valid;
none;
Ki = 60 nM
131.173 C6 H13 N O2 CC(C)...
MRD A:501;
A:502;
A:503;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
118.174 C6 H14 O2 C[C@H...
ZN A:488;
A:489;
A:490;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1LAN 1.9 Å EC: 3.4.11.1 LEUCINE AMINOPEPTIDASE COMPLEX WITH L-LEUCINAL BOS TAURUS AMINOPEPTIDASE EXOPEPTIDASE METALLOPEPTIDASE HYDROLASE (AAMINOACYLPEPTIDE)
Ref.: TWO-METAL ION MECHANISM OF BOVINE LENS LEUCINE AMINOPEPTIDASE: ACTIVE SITE SOLVENT STRUCTURE AND B MODE OF L-LEUCINAL, A GEM-DIOLATE TRANSITION STATE BY X-RAY CRYSTALLOGRAPHY. BIOCHEMISTRY V. 34 14792 1995
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2J9A ic50 = 1.3 uM ALA MLE TYR TYR AHY n/a n/a
2 1LCP Ki = 0.23 uM PLU C5 H14 N O3 P CC(C)C[C@H....
3 2EWB Ki = 0.8 uM ZED C15 H19 N O3 S2 C[C@H](CS)....
4 1BLL - L2O VAL VAL ASP n/a n/a
5 1LAN Ki = 60 nM LEU C6 H13 N O2 CC(C)C[C@@....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2J9A ic50 = 1.3 uM ALA MLE TYR TYR AHY n/a n/a
2 1LCP Ki = 0.23 uM PLU C5 H14 N O3 P CC(C)C[C@H....
3 2EWB Ki = 0.8 uM ZED C15 H19 N O3 S2 C[C@H](CS)....
4 1BLL - L2O VAL VAL ASP n/a n/a
5 1LAN Ki = 60 nM LEU C6 H13 N O2 CC(C)C[C@@....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2J9A ic50 = 1.3 uM ALA MLE TYR TYR AHY n/a n/a
2 1LCP Ki = 0.23 uM PLU C5 H14 N O3 P CC(C)C[C@H....
3 2EWB Ki = 0.8 uM ZED C15 H19 N O3 S2 C[C@H](CS)....
4 1BLL - L2O VAL VAL ASP n/a n/a
5 1LAN Ki = 60 nM LEU C6 H13 N O2 CC(C)C[C@@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LEU; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 LEU 1 1
2 DBB 0.565217 0.826087
3 ABA 0.565217 0.826087
4 HL5 0.551724 0.740741
5 2RA 0.5 0.62069
6 ALA 0.5 0.681818
7 DAL 0.5 0.681818
8 SER 0.5 0.642857
9 DSN 0.5 0.642857
10 NVA 0.481481 0.8
11 CYS 0.48 0.692308
12 C2N 0.48 0.72
13 DCY 0.48 0.692308
14 DAS 0.461538 0.642857
15 ASP 0.461538 0.642857
16 MLE 0.448276 0.84
17 DAB 0.444444 0.6
18 VAL 0.44 0.772727
19 SYM 0.4375 0.730769
20 ILE 0.428571 0.791667
21 AS2 0.428571 0.692308
22 HCS 0.428571 0.642857
23 API 0.428571 0.62069
24 ONL 0.419355 0.689655
25 NLE 0.419355 0.740741
26 CSS 0.413793 0.62069
27 MSE 0.40625 0.645161
28 MET 0.40625 0.666667
29 MED 0.40625 0.666667
30 DGL 0.4 0.642857
31 GLU 0.4 0.642857
32 GGL 0.4 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1LAN; Ligand: LEU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1lan.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1LAN; Ligand: LEU; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 1lan.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5NTD BES 31.405
Pocket No.: 3; Query (leader) PDB : 1LAN; Ligand: LEU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1lan.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1LAN; Ligand: LEU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1lan.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1LAN; Ligand: LEU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1lan.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1LAN; Ligand: LEU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1lan.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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