Receptor
PDB id Resolution Class Description Source Keywords
2EFX 2.2 Å EC: 3.-.-.- THE CRYSTAL STRUCTURE OF D-AMINO ACID AMIDASE FROM OCHROBACTRUM ANTHROPI SV3 COMPLEXED WITH L-PHENYLALANINE A MIDE OCHROBACTRUM ANTHROPI PENICILLIN RECOGNIZING PROTEINS D-STEREOSPECIFIC AMIDASE L-PHENYLALANINE AMIDE HYDROLASE
Ref.: STRUCTURES OF D-AMINO-ACID AMIDASE COMPLEXED WITH L-PHENYLALANINE AND WITH L-PHENYLALANINE AMIDE: INSIGHT INTO THE D-STEREOSPECIFICITY OF D-AMINO-ACID AMIDASE FROM OCHROBACTRUM ANTHROPI SV3. ACTA CRYSTALLOGR.,SECT.D V. 64 331 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BA A:3003;
A:3004;
A:3008;
A:3017;
B:3002;
B:3007;
B:3009;
B:3021;
C:3001;
C:3005;
C:3010;
C:3012;
D:3013;
D:3015;
D:3016;
D:3020;
E:3011;
E:3014;
E:3019;
F:3006;
F:3018;
F:3022;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
137.327 Ba [Ba+2...
NFA A:2001;
B:2002;
C:2003;
D:2004;
E:2005;
F:2006;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
164.204 C9 H12 N2 O c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2EFX 2.2 Å EC: 3.-.-.- THE CRYSTAL STRUCTURE OF D-AMINO ACID AMIDASE FROM OCHROBACTRUM ANTHROPI SV3 COMPLEXED WITH L-PHENYLALANINE A MIDE OCHROBACTRUM ANTHROPI PENICILLIN RECOGNIZING PROTEINS D-STEREOSPECIFIC AMIDASE L-PHENYLALANINE AMIDE HYDROLASE
Ref.: STRUCTURES OF D-AMINO-ACID AMIDASE COMPLEXED WITH L-PHENYLALANINE AND WITH L-PHENYLALANINE AMIDE: INSIGHT INTO THE D-STEREOSPECIFICITY OF D-AMINO-ACID AMIDASE FROM OCHROBACTRUM ANTHROPI SV3. ACTA CRYSTALLOGR.,SECT.D V. 64 331 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 2EFU - PHE C9 H11 N O2 c1ccc(cc1)....
2 2EFX - NFA C9 H12 N2 O c1ccc(cc1)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 2EFU - PHE C9 H11 N O2 c1ccc(cc1)....
2 2EFX - NFA C9 H12 N2 O c1ccc(cc1)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 2EFU - PHE C9 H11 N O2 c1ccc(cc1)....
2 2EFX - NFA C9 H12 N2 O c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NFA; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 NFA 1 1
2 PHE 0.657143 0.666667
3 DPN 0.657143 0.666667
4 TYC 0.526316 0.766667
5 ING 0.431818 0.6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2EFX; Ligand: NFA; 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: 2efx.bio4) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2EFX; Ligand: NFA; 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: 2efx.bio6) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2EFX; Ligand: NFA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2efx.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2EFX; Ligand: NFA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2efx.bio5) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2EFX; Ligand: NFA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2efx.bio3) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2EFX; Ligand: NFA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2efx.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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