Receptor
PDB id Resolution Class Description Source Keywords
5AG3 1.9 Å EC: 1.-.-.- CHORISMATASE MECHANISMS REVEAL FUNDAMENTALLY DIFFERENT TYPES REACTION IN A SINGLE CONSERVED PROTEIN FOLD STREPTOMYCES HYGROSCOPICUS OXIDOREDUCTASE PROTEIN
Ref.: CHORISMATASE MECHANISMS REVEAL FUNDAMENTALLY DIFFER OF REACTION IN A SINGLE CONSERVED PROTEIN FOLD. J.AM.CHEM.SOC. V. 137 11032 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3EB B:1341;
A:1341;
Valid;
Valid;
none;
none;
submit data
194.184 C10 H10 O4 c1cc(...
SO4 C:1341;
B:1342;
C:1342;
A:1342;
A:1343;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
PEG A:1347;
B:1343;
C:1344;
A:1344;
A:1350;
A:1346;
B:1344;
C:1345;
C:1343;
A:1349;
C:1346;
A:1348;
A:1345;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5AG3 1.9 Å EC: 1.-.-.- CHORISMATASE MECHANISMS REVEAL FUNDAMENTALLY DIFFERENT TYPES REACTION IN A SINGLE CONSERVED PROTEIN FOLD STREPTOMYCES HYGROSCOPICUS OXIDOREDUCTASE PROTEIN
Ref.: CHORISMATASE MECHANISMS REVEAL FUNDAMENTALLY DIFFER OF REACTION IN A SINGLE CONSERVED PROTEIN FOLD. J.AM.CHEM.SOC. V. 137 11032 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 5AG3 - 3EB C10 H10 O4 c1cc(cc(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 5AG3 - 3EB C10 H10 O4 c1cc(cc(c1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5AG3 - 3EB C10 H10 O4 c1cc(cc(c1....
2 4BPS Ki = 1.02 mM 3EB C10 H10 O4 c1cc(cc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3EB; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 3EB 1 1
2 HCI 0.44186 0.736842
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5AG3; Ligand: 3EB; Similar sites found: 17
This union binding pocket(no: 1) in the query (biounit: 5ag3.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KP6 SAL 0.01844 0.40968 None
2 3RV5 DXC 0.01161 0.40923 None
3 4O4Z N2O 0.003669 0.44308 1.94805
4 3LJU IP9 0.02102 0.40209 2.35294
5 1ONI BEZ 0.000004845 0.46277 2.89855
6 4YHB FAD 0.01873 0.40076 2.9304
7 4RW3 TDA 0.02883 0.4116 5.96026
8 4RW3 PLM 0.03825 0.40121 5.96026
9 3G4Q MCH 0.01041 0.40092 6.84932
10 3N7S 3N7 0.02862 0.40027 9.56522
11 3BPX SAL 0.01295 0.41145 10.8108
12 1ZOY UQ1 0.01866 0.4036 12.8571
13 3L1N PLM 0.01897 0.4009 13.4021
14 5XNA SHV 0.006177 0.42122 14.4928
15 5HP8 PYR 0.00002031 0.55332 18.5484
16 2UYN 2KT 0.00001726 0.56043 24.031
17 2UYP PPI 0.00001112 0.5508 24.031
Pocket No.: 2; Query (leader) PDB : 5AG3; Ligand: 3EB; Similar sites found: 4
This union binding pocket(no: 2) in the query (biounit: 5ag3.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5EXK MET 0.01918 0.40219 2.1148
2 4MPO AMP 0.01786 0.40874 3.92157
3 4UP4 GAL NAG 0.01636 0.40286 4.11765
4 3K0T BGC 0.00002966 0.44012 16.0839
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