Receptor
PDB id Resolution Class Description Source Keywords
1L7Z 2.3 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF CA2+/CALMODULIN COMPLEXED WITH MYRISTOYLATED CAP-23/NAP-22 PEPTIDE HOMO SAPIENS CALMODULIN MYRISTOYLATION PROTEIN-PROTEIN INTERACTION RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI STRUCTURAL GENOMICS METAL BINDING PROTEIN/PROTEIN BINDING COMPLEX
Ref.: CRYSTAL STRUCTURE OF A MYRISTOYLATED CAP-23/NAP-22 N-TERMINAL DOMAIN COMPLEXED WITH CA2+/CALMODULIN EMBO J. V. 23 712 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:300;
A:301;
A:302;
A:303;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
GLY GLY LYS LEU SER LYS LYS LYS LYS MYR B:201;
 Valid;
 none;
 Kd = 3 nM
727.989 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1L7Z 2.3 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF CA2+/CALMODULIN COMPLEXED WITH MYRISTOYLATED CAP-23/NAP-22 PEPTIDE HOMO SAPIENS CALMODULIN MYRISTOYLATION PROTEIN-PROTEIN INTERACTION RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI STRUCTURAL GENOMICS METAL BINDING PROTEIN/PROTEIN BINDING COMPLEX
Ref.: CRYSTAL STRUCTURE OF A MYRISTOYLATED CAP-23/NAP-22 N-TERMINAL DOMAIN COMPLEXED WITH CA2+/CALMODULIN EMBO J. V. 23 712 2004
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 3IF7 Kd = 61 nM SPU C23 H50 N2 O5 P CCCCCCCCCC....
2 1QIW Kd = 18 nM DPD C34 H48 N2 O2 CCCCOc1ccc....
3 1LIN - TFP C21 H24 F3 N3 S CN1CCN(CC1....
4 1L7Z Kd = 3 nM GLY GLY LYS LEU SER LYS LYS LYS LYS MYR n/a n/a
5 6OS4 - 5U0 C19 H33 N O2 S CC(=CCC/C(....
6 1CTR - TFP C21 H24 F3 N3 S CN1CCN(CC1....
7 1XA5 Kd = 316 nM KAR C46 H56 Cl N5 O7 CC[C@@]1(C....
8 6O5G Kd = 2 uM LMJ C21 H23 Br Cl N3 O CC1(c2c(c3....
9 6EEB Kd = 5 uM J6P C21 H23 Cl2 N3 O CC1(c2c(c3....
10 6M7H - KN9 C26 H29 Cl N2 O4 S CN(C/C=C/c....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 3IF7 Kd = 61 nM SPU C23 H50 N2 O5 P CCCCCCCCCC....
2 1QIW Kd = 18 nM DPD C34 H48 N2 O2 CCCCOc1ccc....
3 1LIN - TFP C21 H24 F3 N3 S CN1CCN(CC1....
4 1L7Z Kd = 3 nM GLY GLY LYS LEU SER LYS LYS LYS LYS MYR n/a n/a
5 6OS4 - 5U0 C19 H33 N O2 S CC(=CCC/C(....
6 1CTR - TFP C21 H24 F3 N3 S CN1CCN(CC1....
7 1XA5 Kd = 316 nM KAR C46 H56 Cl N5 O7 CC[C@@]1(C....
8 6O5G Kd = 2 uM LMJ C21 H23 Br Cl N3 O CC1(c2c(c3....
9 6EEB Kd = 5 uM J6P C21 H23 Cl2 N3 O CC1(c2c(c3....
10 6M7H - KN9 C26 H29 Cl N2 O4 S CN(C/C=C/c....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 1DTL - BEP C24 H34 N2 O CC(C)COC[C....
2 3IF7 Kd = 61 nM SPU C23 H50 N2 O5 P CCCCCCCCCC....
3 1QIW Kd = 18 nM DPD C34 H48 N2 O2 CCCCOc1ccc....
4 1LIN - TFP C21 H24 F3 N3 S CN1CCN(CC1....
5 1L7Z Kd = 3 nM GLY GLY LYS LEU SER LYS LYS LYS LYS MYR n/a n/a
6 6OS4 - 5U0 C19 H33 N O2 S CC(=CCC/C(....
7 1CTR - TFP C21 H24 F3 N3 S CN1CCN(CC1....
8 1XA5 Kd = 316 nM KAR C46 H56 Cl N5 O7 CC[C@@]1(C....
9 6O5G Kd = 2 uM LMJ C21 H23 Br Cl N3 O CC1(c2c(c3....
10 6EEB Kd = 5 uM J6P C21 H23 Cl2 N3 O CC1(c2c(c3....
11 6M7H - KN9 C26 H29 Cl N2 O4 S CN(C/C=C/c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLY GLY LYS LEU SER LYS LYS LYS LYS MYR; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY GLY LYS LEU SER LYS LYS LYS LYS MYR 1 1
2 GLY ASN CYS PHE SER LYS ARG ARG ALA ALA MYR 0.5 0.872727
3 SER LEU LEU LYS LYS LEU LEU LEU ALA 0.494845 0.897959
4 GLY CYS SER VAL SER LYS LYS LYS MYR 0.487395 0.942308
5 GLY THR ALA SER SER LEU MYR 0.448276 0.960784
6 GLY GLY CYS PHE SER LYS PRO LYS MYR 0.445946 0.723077
7 MYR GLY GLY ALA ILE SER 0.429825 0.92
8 LEU LYS LEU GLY MLY SER LEU GLY ARG 0.421488 0.888889
9 ACE GLY LYS SER PHE SER LYS PRO ARG MYR 0.418301 0.75
10 ALA LYS ALA SER GLN ALA ALA 0.418182 0.857143
11 GLY GLY ALY ALA PRO ARG LYS GLN 0.415842 0.795918
12 LYS VAL LEU SER LYS ILE PHE MYR 0.412587 0.924528
13 GLY LEU TYR ALA SER LYS LEU ALA 0.406504 0.803571
14 MYR GLY GLY GLY ILE 0.403846 0.86
Similar Ligands (3D)
Ligand no: 1; Ligand: GLY GLY LYS LEU SER LYS LYS LYS LYS MYR; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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