Receptor
PDB id Resolution Class Description Source Keywords
4DR9 1.9 Å EC: 3.5.1.88 CRYSTAL STRUCTURE OF A PEPTIDE DEFORMYLASE FROM SYNECHOCOCCU ELONGATUS IN COMPLEX WITH ACTINONIN SYNECHOCOCCUS ELONGATUS HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: STRUCTURE AND FUNCTION OF A CYANOPHAGE-ENCODED PEPT DEFORMYLASE. ISME J V. 7 1150 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN C:201;
B:201;
D:201;
A:201;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
BB2 B:203;
C:204;
D:203;
A:203;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
ic50 = 10 nM
385.498 C19 H35 N3 O5 CCCCC...
BR C:203;
D:202;
B:202;
C:202;
A:202;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
79.904 Br [Br-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4DR9 1.9 Å EC: 3.5.1.88 CRYSTAL STRUCTURE OF A PEPTIDE DEFORMYLASE FROM SYNECHOCOCCU ELONGATUS IN COMPLEX WITH ACTINONIN SYNECHOCOCCUS ELONGATUS HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: STRUCTURE AND FUNCTION OF A CYANOPHAGE-ENCODED PEPT DEFORMYLASE. ISME J V. 7 1150 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 4DR9 ic50 = 10 nM BB2 C19 H35 N3 O5 CCCCC[C@H]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 4DR9 ic50 = 10 nM BB2 C19 H35 N3 O5 CCCCC[C@H]....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 1G2A ic50 = 10 nM BB2 C19 H35 N3 O5 CCCCC[C@H]....
2 1BS8 - MET ALA SER n/a n/a
3 2AI8 ic50 = 0.16 uM SB7 C10 H15 N O2 c1ccc(cc1)....
4 1G27 ic50 = 7 nM BB1 C16 H31 N3 O4 CCCC[C@H](....
5 1LRU - BB2 C19 H35 N3 O5 CCCCC[C@H]....
6 1BS6 - MET ALA SER n/a n/a
7 2EW6 ic50 = 10.8 uM Y13 C17 H17 N O4 c1cc(ccc1C....
8 2EW5 ic50 = 1.25 uM Y12 C21 H21 N O5 CC(=O)Oc1c....
9 3UWB ic50 = 10 nM BB2 C19 H35 N3 O5 CCCCC[C@H]....
10 1RL4 ic50 = 130 nM BL5 C38 H62 N8 O4 CCCC[C@@H]....
11 1S17 ic50 < 5 nM GNR C10 H10 N2 O3 S c1ccc2c(c1....
12 1IX1 - BB2 C19 H35 N3 O5 CCCCC[C@H]....
13 4DR9 ic50 = 10 nM BB2 C19 H35 N3 O5 CCCCC[C@H]....
14 3M6Q Kd = 48 nM BB2 C19 H35 N3 O5 CCCCC[C@H]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BB2; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 BB2 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4DR9; Ligand: BB2; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 4dr9.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5MTE BB2 47.4453
Pocket No.: 2; Query (leader) PDB : 4DR9; Ligand: BB2; 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: 4dr9.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4DR9; Ligand: BB2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4dr9.bio4) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4DR9; Ligand: BB2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4dr9.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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