Receptor
PDB id Resolution Class Description Source Keywords
3IT7 2.14 Å EC: 3.4.24.- CRYSTAL STRUCTURE OF THE LASA VIRULENCE FACTOR FROM PSEUDOMO AERUGINOSA PSEUDOMONAS AERUGINOSA METALLOPEPTIDASE M23 BETA-PROTEIN CELL MEMBRANE CELL OUTMEMBRANE HYDROLASE MEMBRANE METAL-BINDING METALLOPROTEAPROTEASE ZYMOGEN
Ref.: CRYSTAL STRUCTURE OF THE LASA VIRULENCE FACTOR FROM PSEUDOMONAS AERUGINOSA: SUBSTRATE SPECIFICITY AND M OF M23 METALLOPEPTIDASES. J.MOL.BIOL. V. 396 908 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:184;
A:185;
B:184;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
TLA A:300;
B:300;
Valid;
Valid;
none;
none;
submit data
150.087 C4 H6 O6 [C@@H...
ZN A:183;
B:183;
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
3IT7 2.14 Å EC: 3.4.24.- CRYSTAL STRUCTURE OF THE LASA VIRULENCE FACTOR FROM PSEUDOMO AERUGINOSA PSEUDOMONAS AERUGINOSA METALLOPEPTIDASE M23 BETA-PROTEIN CELL MEMBRANE CELL OUTMEMBRANE HYDROLASE MEMBRANE METAL-BINDING METALLOPROTEAPROTEASE ZYMOGEN
Ref.: CRYSTAL STRUCTURE OF THE LASA VIRULENCE FACTOR FROM PSEUDOMONAS AERUGINOSA: SUBSTRATE SPECIFICITY AND M OF M23 METALLOPEPTIDASES. J.MOL.BIOL. V. 396 908 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 3IT7 - TLA C4 H6 O6 [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 14 families.
1 3IT7 - TLA C4 H6 O6 [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 7 families.
1 3IT7 - TLA C4 H6 O6 [C@@H]([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TLA; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 TAR 1 1
2 TLA 1 1
3 SRT 1 1
4 RAT 0.588235 1
5 LGT 0.588235 1
6 GAE 0.588235 1
7 LAC 0.5 0.611111
8 2OP 0.5 0.611111
9 IPM 0.47619 0.8
10 LFC 0.434783 0.777778
11 ICT 0.416667 0.727273
12 DXX 0.411765 0.777778
13 MAK 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3IT7; Ligand: TLA; 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: 3it7.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3IT7; Ligand: TLA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3it7.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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