Receptor
PDB id Resolution Class Description Source Keywords
2PLM 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE PROTEIN TM0936 FROM THERMOTOGA MARITIMA COMPLEXED WITH ZN AND S-INOSYLHOMOCYSTEINE THERMOTOGA MARITIMA TM0936 FUNCTION PREDICTION AMIDOHYDROLASE UNKNOWN FUNCTION
Ref.: STRUCTURE-BASED ACTIVITY PREDICTION FOR AN ENZYME OF UNKNOWN FUNCTION NATURE V. 448 775 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SIB A:408;
 Valid;
 none;
 submit data
385.396 C14 H19 N5 O6 S c1nc2...
ZN A:407;
 Part of Protein;
 none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1P1M 1.5 Å NON-ENZYME: OTHER STRUCTURE OF THERMOTOGA MARITIMA AMIDOHYDROLASE TM0936 BOUND TO NI AND METHIONINE THERMOTOGA MARITIMA PUTATIVE METAL DEPENDENT HYDROLASE PSI PROTEIN STRUCTURE INITIATIVE NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS NYSGXRC STRUCTURAL GENOMICS UNKNOWN FUNCTION
Ref.: STRUCTURE OF THE HYPOTHETICAL PROTEIN TM0936 FROM THERMOTOGA MARITIMA AT 1.5A BOUND TO NI AND METHIONINE TO BE PUBLISHED 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 1P1M - MET C5 H11 N O2 S CSCC[C@@H]....
2 2PLM - SIB C14 H19 N5 O6 S c1nc2c(n1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 1P1M - MET C5 H11 N O2 S CSCC[C@@H]....
2 2PLM - SIB C14 H19 N5 O6 S c1nc2c(n1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 1P1M - MET C5 H11 N O2 S CSCC[C@@H]....
2 2PLM - SIB C14 H19 N5 O6 S c1nc2c(n1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SIB; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 SIB 1 1
2 NOS 0.604938 0.833333
3 IMP 0.549451 0.772152
4 SAH 0.53125 0.928571
5 IDP 0.505155 0.7625
6 TT8 0.504951 0.902778
7 R5I 0.485149 0.78481
8 R7I 0.485149 0.78481
9 36A 0.440678 0.844156
10 6SW 0.407767 0.75641
11 SNI 0.402174 0.797297
Similar Ligands (3D)
Ligand no: 1; Ligand: SIB; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1P1M; Ligand: MET; 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: 1p1m.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1P1M; Ligand: MET; 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: 1p1m.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1P1M; Ligand: MET; 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: 1p1m.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback