Receptor
PDB id Resolution Class Description Source Keywords
3KTI 2 Å EC: 3.4.21.92 STRUCTURE OF CLPP IN COMPLEX WITH ADEP1 BACILLUS SUBTILIS HYDROLASE PROTEASE SERINE PROTEASE STRESS RESPONSE A5455ENOPEPTIN DEPSIPEPTIDE ANTIBIOTICS HYDROLASE-ANTIBIOTIC
Ref.: STRUCTURES OF CLPP IN COMPLEX WITH ACYLDEPSIPEPTIDE ANTIBIOTICS REVEAL ITS ACTIVATION MECHANISM NAT.STRUCT.MOL.BIOL. V. 17 471 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DMS A:301;
B:302;
C:303;
D:304;
E:305;
F:306;
G:307;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
NHE A:501;
B:502;
C:503;
D:504;
E:505;
F:506;
G:507;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
207.29 C8 H17 N O3 S C1CCC...
OTT PHE SER PRO MAA ALA MP8 H:1;
I:1;
J:1;
K:1;
L:1;
M:1;
N:1;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
722.884 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3KTI 2 Å EC: 3.4.21.92 STRUCTURE OF CLPP IN COMPLEX WITH ADEP1 BACILLUS SUBTILIS HYDROLASE PROTEASE SERINE PROTEASE STRESS RESPONSE A5455ENOPEPTIN DEPSIPEPTIDE ANTIBIOTICS HYDROLASE-ANTIBIOTIC
Ref.: STRUCTURES OF CLPP IN COMPLEX WITH ACYLDEPSIPEPTIDE ANTIBIOTICS REVEAL ITS ACTIVATION MECHANISM NAT.STRUCT.MOL.BIOL. V. 17 471 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3KTI - OTT PHE SER PRO MAA ALA MP8 n/a n/a
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3MT6 - OTT PHE SER PRO MAA ALA MP8 n/a n/a
2 3KTI - OTT PHE SER PRO MAA ALA MP8 n/a n/a
3 5DKP - OTT PHE SER PRO MAA ALA MP8 n/a n/a
4 2ZL4 - ALA ALA ALA ALA n/a n/a
5 2ZL2 - ASN VAL LEU GLY PHE THR GLN n/a n/a
6 6TTZ - NWT C39 H52 F2 N6 O8 CCCC/C=C/C....
7 6PKA Kd = 1.19 uM OO1 WFP SER PRO YCP ALA MP8 n/a n/a
8 6PMD - SHV WFP SER PRO YCP ALA MP8 n/a n/a
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3MT6 - OTT PHE SER PRO MAA ALA MP8 n/a n/a
2 3KTI - OTT PHE SER PRO MAA ALA MP8 n/a n/a
3 5DKP - OTT PHE SER PRO MAA ALA MP8 n/a n/a
4 2ZL4 - ALA ALA ALA ALA n/a n/a
5 2ZL2 - ASN VAL LEU GLY PHE THR GLN n/a n/a
6 6TTZ - NWT C39 H52 F2 N6 O8 CCCC/C=C/C....
7 6PKA Kd = 1.19 uM OO1 WFP SER PRO YCP ALA MP8 n/a n/a
8 6PMD - SHV WFP SER PRO YCP ALA MP8 n/a n/a
9 6DL7 - ONC C24 H24 N4 O Cc1ccccc1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: OTT PHE SER PRO MAA ALA MP8; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 OTT PHE SER PRO MAA ALA MP8 1 1
2 SHV WFP SER PRO YCP ALA MP8 0.509434 0.833333
3 NWT 0.509434 0.833333
4 OO1 WFP SER PRO YCP ALA MP8 0.490798 0.776316
Similar Ligands (3D)
Ligand no: 1; Ligand: OTT PHE SER PRO MAA ALA MP8; 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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