Receptor
PDB id Resolution Class Description Source Keywords
1E8C 2 Å EC: 6.3.2.13 STRUCTURE OF MURE THE UDP-N-ACETYLMURAMYL TRIPEPTIDE SYNTHETASE FROM 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+](...
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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 SYNTHETASE FROM 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
Ligand no: 1; Ligand: UAG API; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 UAG API 1 1
2 UMA FGA LYS DAL DAL 0.666667 0.974026
3 UML 0.654321 0.936709
4 UAG 0.620253 0.947368
5 UMA 0.578947 0.894737
6 EPZ 0.519737 0.894737
7 EEB 0.496774 0.883117
8 UDP GAL 0.482517 0.893333
9 UD2 0.453947 0.881579
10 UD1 0.453947 0.881579
11 UDP ALA FGA CYS DAL DAL MUB C C A9Z 0.453815 0.806452
12 PMP UD1 0.448276 0.807229
13 EPU 0.440994 0.858974
14 U20 0.438596 0.888889
15 U21 0.438596 0.888889
16 ALA DGL API DAL DAL MUB 0.422619 0.706667
17 U22 0.421965 0.91358
18 NAG AH0 ALA DGL API DAL DAL 0.417582 0.753247
19 UDM 0.412903 0.894737
20 UD7 0.411392 0.881579
21 HP7 0.411392 0.868421
22 UDZ 0.404908 0.839506
23 UDP UDP 0.402878 0.84
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1E8C; Ligand: UAG API; Similar sites found: 3
This union binding pocket(no: 1) in the query (biounit: 1e8c.bio2) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4JMU 1ML 0.01319 0.43099 3.57143
2 5U7W ADE 0.01331 0.43428 4.92958
3 1YRO UDP 0.02601 0.42196 5.69106
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