Receptor
PDB id Resolution Class Description Source Keywords
2P8C 2 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF N-SUCCINYL ARG/LYS RACEMASE FROM BACILLUS CEREUS ATCC 14579 COMPLEXED WITH N-SUCCINYL ARG. BACILLUS CEREUS ATCC 14579 ENOLASE SUPERFAMILY PREDICTION OF FUNCTION N-SUCCINYL AMINO ACID RACEMASE LYASE
Ref.: PREDICTION AND ASSIGNMENT OF FUNCTION FOR A DIVERGENT N-SUCCINYL AMINO ACID RACEMASE. NAT.CHEM.BIOL. V. 3 486 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:401;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
SUG A:501;
 Valid;
 none;
 submit data
274.274 C10 H18 N4 O5 C(C[C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2P8B 1.7 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF N-SUCCINYL ARG/LYS RACEMASE FROM BACILLUS CEREUS ATCC 14579 COMPLEXED WITH N-SUCCINYL LYS. BACILLUS CEREUS ATCC 14579 ENOLASE SUPERFAMILY PREDICTION OF FUNCTION N-SUCCINYL AMINO ACID RACEMASE LYASE
Ref.: PREDICTION AND ASSIGNMENT OF FUNCTION FOR A DIVERGENT N-SUCCINYL AMINO ACID RACEMASE. NAT.CHEM.BIOL. V. 3 486 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 2P8B - NSK C10 H18 N2 O5 C(CCN)C[C@....
2 2P8C - SUG C10 H18 N4 O5 C(C[C@@H](....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 families.
1 2P8B - NSK C10 H18 N2 O5 C(CCN)C[C@....
2 2P8C - SUG C10 H18 N4 O5 C(C[C@@H](....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3DG6 - MUC C6 H6 O4 C1=CC(=O)O....
2 3DG7 - MUC C6 H6 O4 C1=CC(=O)O....
3 2P8B - NSK C10 H18 N2 O5 C(CCN)C[C@....
4 2P8C - SUG C10 H18 N4 O5 C(C[C@@H](....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SUG; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 SUG 1 1
2 SUO 0.612245 0.825
3 AAG 0.6 0.880952
4 NSK 0.588235 0.804878
5 CMA 0.566038 0.860465
6 2W2 0.555556 0.925
7 SN0 0.52 0.651163
8 M3R 0.509091 0.692308
9 6DB 0.490909 0.833333
10 SMG 0.481481 0.652174
11 L06 0.425926 0.72093
12 GVA 0.42 0.756098
13 OLN 0.418182 0.813953
14 G3M 0.418182 0.790698
15 SF8 0.412698 0.66
16 KSN 0.403509 0.731707
Similar Ligands (3D)
Ligand no: 1; Ligand: SUG; Similar ligands found: 1
No: Ligand Similarity coefficient
1 BAG 0.9021
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2P8B; Ligand: NSK; 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: 2p8b.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2P8B; Ligand: NSK; 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: 2p8b.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2P8B; Ligand: NSK; 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: 2p8b.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2P8B; Ligand: NSK; 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: 2p8b.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2P8B; Ligand: NSK; 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: 2p8b.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2P8B; Ligand: NSK; 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: 2p8b.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2P8B; Ligand: NSK; 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: 2p8b.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2P8B; Ligand: NSK; 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: 2p8b.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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