Receptor
PDB id Resolution Class Description Source Keywords
5DKP 2.38 Å EC: 3.4.21.92 CRYSTAL STRUCTURE OF N. MENINGITIDIS CLPP IN COMPLEX WITH AG A54556. NEISSERIA MENINGITIDIS SEROGROUP B (STMC58) HYDROLASE AGONIST DEGRADATION ANTIMICROBIAL HYDROLASE-ANCOMPLEX
Ref.: DEVELOPMENT AND CHARACTERIZATION OF POTENT CYCLIC ACYLDEPSIPEPTIDE ANALOGUES WITH INCREASED ANTIMICRO ACTIVITY. J.MED.CHEM. V. 59 624 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA C:302;
K:302;
H:302;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
22.99 Na [Na+]
K J:301;
D:301;
E:301;
H:301;
B:301;
A:301;
I:301;
K:301;
M:301;
C:301;
L:301;
F:301;
N:301;
G:301;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
39.098 K [K+]
OTT PHE SER PRO MAA ALA MP8 Z:401;
1:1;
Z:1;
P:1;
Y:1;
0:1;
T:1;
R:1;
U:1;
3:1;
2:1;
Q:1;
O:1;
W:1;
S:1;
X:1;
V:1;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
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
5DKP 2.38 Å EC: 3.4.21.92 CRYSTAL STRUCTURE OF N. MENINGITIDIS CLPP IN COMPLEX WITH AG A54556. NEISSERIA MENINGITIDIS SEROGROUP B (STMC58) HYDROLASE AGONIST DEGRADATION ANTIMICROBIAL HYDROLASE-ANCOMPLEX
Ref.: DEVELOPMENT AND CHARACTERIZATION OF POTENT CYCLIC ACYLDEPSIPEPTIDE ANALOGUES WITH INCREASED ANTIMICRO ACTIVITY. J.MED.CHEM. V. 59 624 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5DKP - 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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