Receptor
PDB id Resolution Class Description Source Keywords
5CSM 2 Å EC: 5.4.99.5 YEAST CHORISMATE MUTASE, T226S MUTANT, COMPLEX WITH TRP SACCHAROMYCES CEREVISIAE CHORISMATE PYRUVATEMUTASE ALLOSTERIC PROTEIN COMPLEX (ISOMPEPTIDE) TRANSITION STATE ANALOG COMPLEX (ISOMERASE-PEPTICOMPLEX
Ref.: MECHANISMS OF CATALYSIS AND ALLOSTERIC REGULATION O CHORISMATE MUTASE FROM CRYSTAL STRUCTURES. STRUCTURE V. 5 1437 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TRP A:300;
Valid;
none;
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204.225 C11 H12 N2 O2 c1ccc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5CSM 2 Å EC: 5.4.99.5 YEAST CHORISMATE MUTASE, T226S MUTANT, COMPLEX WITH TRP SACCHAROMYCES CEREVISIAE CHORISMATE PYRUVATEMUTASE ALLOSTERIC PROTEIN COMPLEX (ISOMPEPTIDE) TRANSITION STATE ANALOG COMPLEX (ISOMERASE-PEPTICOMPLEX
Ref.: MECHANISMS OF CATALYSIS AND ALLOSTERIC REGULATION O CHORISMATE MUTASE FROM CRYSTAL STRUCTURES. STRUCTURE V. 5 1437 1997
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1CSM - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 5CSM - TRP C11 H12 N2 O2 c1ccc2c(c1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1CSM - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 5CSM - TRP C11 H12 N2 O2 c1ccc2c(c1....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1CSM - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 5CSM - TRP C11 H12 N2 O2 c1ccc2c(c1....
3 5W6Y - TRP C11 H12 N2 O2 c1ccc2c(c1....
4 4PPU - TYR C9 H11 N O3 c1cc(ccc1C....
5 4PPV - PHE C9 H11 N O2 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TRP; Similar ligands found: 30
No: Ligand ECFP6 Tc MDL keys Tc
1 DTR 1 1
2 TRP 1 1
3 LTN 0.765957 0.777778
4 3IL 0.666667 0.75
5 TR7 0.666667 0.833333
6 4Z9 0.666667 0.75
7 FT6 0.561404 0.888889
8 IAC 0.538462 0.787879
9 TSR 0.529412 0.722222
10 IOP 0.518519 0.764706
11 R38 0.515152 0.72093
12 R59 0.515152 0.72093
13 ZIQ 0.491525 0.864865
14 3IB 0.491228 0.742857
15 ITW 0.491228 0.694444
16 IAD 0.484375 0.738095
17 TRP GLY 0.476923 0.704545
18 TSS 0.471698 0.666667
19 CTE 0.467742 0.888889
20 DTE 0.467742 0.888889
21 IAV 0.461538 0.738095
22 IAG 0.459016 0.738095
23 LYS TRP 0.432432 0.673913
24 78U 0.42623 0.794118
25 0ZN 0.421687 0.673913
26 4OG 0.416667 0.8
27 X95 0.411765 0.680851
28 LSW 0.411765 0.680851
29 ASP TRP ASN 0.405063 0.673913
30 GLU ASP ASN ASP TRP ASN 0.405063 0.673913
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5CSM; Ligand: TRP; 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: 5csm.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5CSM; Ligand: TRP; 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: 5csm.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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