Receptor
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
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...
NSK A:501;
Valid;
none;
submit data
246.26 C10 H18 N2 O5 C(CCN...
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 293 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 250 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
Ligand no: 1; Ligand: NSK; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 NSK 1 1
2 SUO 0.804878 0.970588
3 SUG 0.588235 0.804878
4 SN0 0.577778 0.756757
5 SMG 0.530612 0.707317
6 AOR 0.416667 0.833333
7 16E 0.407407 0.828571
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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