Receptor
PDB id Resolution Class Description Source Keywords
1E8C 2 Å EC: 6.3.2.13 STRUCTURE OF MURE THE UDP-N-ACETYLMURAMYL TRIPEPTIDE SYNTHET E. COLI ESCHERICHIA COLI LIGASE PEPTIDOGLYCAN BIOSYNTHESIS
Ref.: CRYSTAL STRUCTURE OF UDP-N-ACETYLMURAMOYL-L-ALANYL-D-GLUTAMATE: MESO-DIAMINOPIMELATE LIGASE FROM ESCHERICHIA COLI J.BIOL.CHEM. V. 276 10999 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1001;
Invalid;
none;
submit data
35.453 Cl [Cl-]
UAG API A:1498;
B:1498;
Valid;
Valid;
none;
none;
submit data
1047.76 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1E8C 2 Å EC: 6.3.2.13 STRUCTURE OF MURE THE UDP-N-ACETYLMURAMYL TRIPEPTIDE SYNTHET E. COLI ESCHERICHIA COLI LIGASE PEPTIDOGLYCAN BIOSYNTHESIS
Ref.: CRYSTAL STRUCTURE OF UDP-N-ACETYLMURAMOYL-L-ALANYL-D-GLUTAMATE: MESO-DIAMINOPIMELATE LIGASE FROM ESCHERICHIA COLI J.BIOL.CHEM. V. 276 10999 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1E8C - UAG API 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 1 families.
1 1E8C - UAG API n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1E8C - UAG API n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: UAG API; Similar ligands found: 27
No: Ligand ECFP6 Tc MDL keys Tc
1 UAG API 1 1
2 UML 0.656442 0.949367
3 UMA FGA LYS DAL DAL 0.654971 0.962025
4 UAG 0.622642 0.935065
5 UMA 0.581699 0.883117
6 UDP ALA FGA CYS DAL DAL MUB C C A9Z 0.548246 0.817204
7 EPZ 0.522876 0.883117
8 EEB 0.5 0.871795
9 ALA FGA API DAL DAL MUB 0.496815 0.710526
10 UDP GAL 0.475862 0.881579
11 AMV ALA FGA LYS DAL DAL 0.46875 0.683544
12 UD2 0.457516 0.87013
13 UD1 0.457516 0.87013
14 EPU 0.453416 0.848101
15 U20 0.450292 0.878049
16 U21 0.450292 0.878049
17 U22 0.44186 0.902439
18 PMP UD1 0.440678 0.833333
19 F5G 0.41875 0.87013
20 UD7 0.415094 0.87013
21 HP7 0.415094 0.857143
22 AH0 ALA FGA LYS 0.409938 0.7125
23 UDZ 0.408537 0.829268
24 UDM 0.407643 0.883117
25 ALA FGA LYS DAL DAL AMV NAG 0.403409 0.721519
26 F5P 0.401235 0.883117
27 UD4 0.401235 0.883117
Similar Ligands (3D)
Ligand no: 1; Ligand: UAG API; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1E8C; Ligand: UAG API; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 1e8c.bio2) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 4C12 UML 44.1118
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