Receptor
PDB id Resolution Class Description Source Keywords
2P1E 1.9 Å EC: 3.1.2.6 CRYSTAL STRUCTURE OF THE LEISHMANIA INFANTUM GLYOXALASE II W LACTATE AT THE ACTIVE SITE LEISHMANIA INFANTUM BETA SANDWICH PRODUCT SPERMIDINE HYDROLASE
Ref.: CATALYSIS AND STRUCTURAL PROPERTIES OF LEISHMANIA I GLYOXALASE II: TRYPANOTHIONE SPECIFICITY AND PHYLOG BIOCHEMISTRY V. 47 195 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LAC A:303;
Valid;
none;
submit data
90.078 C3 H6 O3 C[C@H...
SPD A:304;
Invalid;
none;
submit data
145.246 C7 H19 N3 C(CCN...
ZN A:301;
A:302;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2P1E 1.9 Å EC: 3.1.2.6 CRYSTAL STRUCTURE OF THE LEISHMANIA INFANTUM GLYOXALASE II W LACTATE AT THE ACTIVE SITE LEISHMANIA INFANTUM BETA SANDWICH PRODUCT SPERMIDINE HYDROLASE
Ref.: CATALYSIS AND STRUCTURAL PROPERTIES OF LEISHMANIA I GLYOXALASE II: TRYPANOTHIONE SPECIFICITY AND PHYLOG BIOCHEMISTRY V. 47 195 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2P1E - LAC C3 H6 O3 C[C@H](C(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2P1E - LAC C3 H6 O3 C[C@H](C(=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2P1E - LAC C3 H6 O3 C[C@H](C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LAC; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 LAC 1 1
2 2OP 1 1
3 HBS 0.6 0.615385
4 HBR 0.6 0.615385
5 2RH 0.5 0.631579
6 TAR 0.5 0.611111
7 TLA 0.5 0.611111
8 SRT 0.5 0.611111
9 IPM 0.47619 0.631579
10 KIV 0.444444 0.625
11 LFC 0.434783 0.8
12 23B 0.428571 0.631579
13 QFH 0.428571 0.631579
14 WTZ 0.428571 0.631579
15 RAT 0.421053 0.611111
16 LGT 0.421053 0.611111
17 GAE 0.421053 0.611111
18 3LR 0.4 0.6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2P1E; Ligand: LAC; 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: 2p1e.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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