Receptor
PDB id Resolution Class Description Source Keywords
3BPX 1.95 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF MARR METHANOBACTERIUM THERMOAUTOTROPHICUM MARR TRANSCRIPTION FACTOR WINGED HELIX MOTIF DNA BINDINGDNA-BINDING TRANSCRIPTION REGULATION TRANSCRIPTION REGULATOR
Ref.: STRUCTURAL INSIGHT ON THE MECHANISM OF REGULATION OF THE MARR FAMILY OF PROTEINS: HIGH-RESOLUTION CRYSTAL STRUCTURE OF A TRANSCRIPTIONAL REPRESSOR FROM METHANOBACTERIUM THERMOAUTOTROPHICUM. J.MOL.BIOL. V. 377 655 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:146;
A:147;
A:148;
A:149;
B:146;
B:147;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
SAL A:257;
B:258;
Valid;
Valid;
none;
none;
Kd = 0.5 mM
138.121 C7 H6 O3 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3BPX 1.95 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF MARR METHANOBACTERIUM THERMOAUTOTROPHICUM MARR TRANSCRIPTION FACTOR WINGED HELIX MOTIF DNA BINDINGDNA-BINDING TRANSCRIPTION REGULATION TRANSCRIPTION REGULATOR
Ref.: STRUCTURAL INSIGHT ON THE MECHANISM OF REGULATION OF THE MARR FAMILY OF PROTEINS: HIGH-RESOLUTION CRYSTAL STRUCTURE OF A TRANSCRIPTIONAL REPRESSOR FROM METHANOBACTERIUM THERMOAUTOTROPHICUM. J.MOL.BIOL. V. 377 655 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 309 families.
1 3BPX Kd = 0.5 mM SAL C7 H6 O3 c1ccc(c(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 3BPX Kd = 0.5 mM SAL C7 H6 O3 c1ccc(c(c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 221 families.
1 3BPX Kd = 0.5 mM SAL C7 H6 O3 c1ccc(c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SAL; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 SAL 1 1
2 PHT 0.576923 0.636364
3 JKE 0.516129 0.625
4 DBH 0.5 0.869565
5 GOG 0.484848 0.909091
6 3HA 0.470588 0.633333
7 GRE 0.466667 0.909091
8 3GQ 0.419355 0.636364
9 GTQ 0.411765 0.952381
10 CAQ 0.4 0.681818
11 DOB 0.4 0.952381
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3BPX; Ligand: SAL; 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: 3bpx.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3BPX; Ligand: SAL; 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: 3bpx.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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