Receptor
PDB id Resolution Class Description Source Keywords
3I59 2.29 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF MTBCRP IN COMPLEX WITH N6-CAMP MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS CAMP RECEPTOR PROTEIN CRP ALLOMECHANISM DNA BINDING INHIBITION N6-CAMP STRUCTURAL GENSTRUCTURAL GENOMICS CONSORTIUM TBSGC DNA-BINDING TRANSCRTRANSCRIPTION REGULATION DNA BINDING PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO THE MECHANISM OF THE ALLOS TRANSITIONS OF MYCOBACTERIUM TUBERCULOSIS CAMP RECE PROTEIN. J.BIOL.CHEM. V. 284 36581 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:302;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
N6R A:301;
 Valid;
 none;
 submit data
447.382 C19 H22 N5 O6 P C[C@H...
N6S B:301;
 Valid;
 none;
 submit data
447.382 C19 H22 N5 O6 P C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3I59 2.29 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF MTBCRP IN COMPLEX WITH N6-CAMP MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS CAMP RECEPTOR PROTEIN CRP ALLOMECHANISM DNA BINDING INHIBITION N6-CAMP STRUCTURAL GENSTRUCTURAL GENOMICS CONSORTIUM TBSGC DNA-BINDING TRANSCRTRANSCRIPTION REGULATION DNA BINDING PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO THE MECHANISM OF THE ALLOS TRANSITIONS OF MYCOBACTERIUM TUBERCULOSIS CAMP RECE PROTEIN. J.BIOL.CHEM. V. 284 36581 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 3I59 - N6R C19 H22 N5 O6 P C[C@H](Cc1....
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 4CYD Kd = 17 uM CMP C10 H12 N5 O6 P c1nc(c2c(n....
2 3I59 - N6R C19 H22 N5 O6 P C[C@H](Cc1....
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 4CYD Kd = 17 uM CMP C10 H12 N5 O6 P c1nc(c2c(n....
2 3I59 - N6R C19 H22 N5 O6 P C[C@H](Cc1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: N6R; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 N6S 1 1
2 N6R 1 1
3 2BA 0.535354 0.901408
4 CMP 0.535354 0.914286
5 1OR 0.523364 0.858974
6 6SX 0.471154 0.898551
7 1YD 0.442623 0.831169
8 4BW 0.442623 0.831169
9 7CH 0.420561 0.9
10 1SY 0.419847 0.831169
11 6SZ 0.409091 0.901408
12 C2E 0.40708 0.831169
13 PCG 0.40708 0.818182
14 35G 0.40708 0.818182
15 RP1 0.4 0.853333
16 SP1 0.4 0.853333
Ligand no: 2; Ligand: N6S; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 N6S 1 1
2 N6R 1 1
3 2BA 0.535354 0.901408
4 CMP 0.535354 0.914286
5 1OR 0.523364 0.858974
6 6SX 0.471154 0.898551
7 1YD 0.442623 0.831169
8 4BW 0.442623 0.831169
9 7CH 0.420561 0.9
10 1SY 0.419847 0.831169
11 6SZ 0.409091 0.901408
12 C2E 0.40708 0.831169
13 PCG 0.40708 0.818182
14 35G 0.40708 0.818182
15 RP1 0.4 0.853333
16 SP1 0.4 0.853333
Similar Ligands (3D)
Ligand no: 1; Ligand: N6R; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: N6S; 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 : 3I59; Ligand: N6S; 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: 3i59.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3I59; Ligand: N6R; 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: 3i59.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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