Receptor
PDB id Resolution Class Description Source Keywords
2GGH 2.2 Å EC: 5.1.1.10 THE MUTANT A68C-D72C-NLQ OF DEINOCOCCUS RADIODURANS NACYLAMINO ACID RACEMASE DEINOCOCCUS RADIODURANS N-ACYLAMINO ACID RACEMASE DEINOCOCCUS RADIODURANS ISOMERASE
Ref.: STRUCTURE-STABILITY-ACTIVITY RELATIONSHIP IN COVALENTLY CROSS-LINKED N-CARBAMOYL D-AMINO ACID AMIDOHYDROLASE AND N-ACYLAMINO ACID RACEMASE. J.MOL.BIOL. V. 359 741 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:1377;
B:2377;
C:3377;
D:4377;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
NLQ C:1376;
D:2376;
Valid;
Valid;
none;
none;
submit data
188.181 C7 H12 N2 O4 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GGH 2.2 Å EC: 5.1.1.10 THE MUTANT A68C-D72C-NLQ OF DEINOCOCCUS RADIODURANS NACYLAMINO ACID RACEMASE DEINOCOCCUS RADIODURANS N-ACYLAMINO ACID RACEMASE DEINOCOCCUS RADIODURANS ISOMERASE
Ref.: STRUCTURE-STABILITY-ACTIVITY RELATIONSHIP IN COVALENTLY CROSS-LINKED N-CARBAMOYL D-AMINO ACID AMIDOHYDROLASE AND N-ACYLAMINO ACID RACEMASE. J.MOL.BIOL. V. 359 741 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2GGH - NLQ C7 H12 N2 O4 CC(=O)N[C@....
2 1XPY - NLQ C7 H12 N2 O4 CC(=O)N[C@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2GGH - NLQ C7 H12 N2 O4 CC(=O)N[C@....
2 1XPY - NLQ C7 H12 N2 O4 CC(=O)N[C@....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1SJD - NPG C12 H13 N O5 c1ccc(cc1)....
2 1SJB - OSB C11 H10 O5 c1ccc(c(c1....
3 1SJC - SMG C9 H15 N O5 S CSCC[C@H](....
4 1SJA - AME C7 H13 N O3 S CC(=O)N[C@....
5 2GGH - NLQ C7 H12 N2 O4 CC(=O)N[C@....
6 1XPY - NLQ C7 H12 N2 O4 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NLQ; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 NLQ 1 1
2 NLG 0.69697 0.903226
3 AN0 0.571429 0.764706
4 AOR 0.552632 0.8
5 X2W 0.522727 0.636364
6 AME 0.512821 0.710526
7 SAC 0.5 0.694444
8 OLN 0.488372 0.769231
9 SC2 0.485714 0.685714
10 AAG 0.466667 0.707317
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GGH; Ligand: NLQ; 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: 2ggh.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2GGH; Ligand: NLQ; 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: 2ggh.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2GGH; Ligand: NLQ; 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: 2ggh.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2GGH; Ligand: NLQ; 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: 2ggh.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2GGH; Ligand: NLQ; 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: 2ggh.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2GGH; Ligand: NLQ; 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: 2ggh.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2GGH; Ligand: NLQ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2ggh.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2GGH; Ligand: NLQ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2ggh.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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