Receptor
PDB id Resolution Class Description Source Keywords
1BS8 2.2 Å EC: 3.5.1.31 PEPTIDE DEFORMYLASE AS ZN2+ CONTAINING FORM IN COMPLEX WITH TRIPEPTIDE MET-ALA-SER ESCHERICHIA COLI HYDROLASE IRON METALLOPROTEASE; PROTEIN SYNTHESIS
Ref.: IRON CENTER, SUBSTRATE RECOGNITION AND MECHANISM OF PEPTIDE DEFORMYLASE. NAT.STRUCT.BIOL. V. 5 1053 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MET ALA SER D:1;
E:1;
F:1;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
291.348 n/a S(CCC...
SO4 B:3001;
B:3002;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
ZN A:2001;
B:2001;
C:2001;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1G27 2.1 Å EC: 3.5.1.31 CRYSTAL STRUCTURE OF E.COLI POLYPEPTIDE DEFORMYLASE COMPLEXE INHIBITOR BB-3497 ESCHERICHIA COLI BB-3497 INHIBITION POLYPEPTIDE DEFORMYLASE HYDROLASE
Ref.: ANTIBIOTIC ACTIVITY AND CHARACTERIZATION OF BB-3497 PEPTIDE DEFORMYLASE INHIBITOR. ANTIMICROB.AGENTS CHEMOTHER. V. 45 563 2001
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 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
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 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 1S17 ic50 < 5 nM GNR C10 H10 N2 O3 S c1ccc2c(c1....
8 1IX1 - 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 1130 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: MET ALA SER; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 MET ALA SER 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1G27; Ligand: BB1; Similar sites found with APoc: 15
This union binding pocket(no: 1) in the query (biounit: 1g27.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4EOX 0S5 38.6905
2 1Q1Y BB2 38.6905
3 2OKL BB2 42.2619
4 2OKL BB2 42.2619
5 5MTE BB2 44.5255
6 5MTE BB2 44.5255
7 3G5K BB2 47.619
8 3G5K BB2 47.619
9 3G5K BB2 47.619
10 3G5K BB2 47.619
11 1LQY BB2 47.619
12 3G5K BB2 47.619
13 3G5K BB2 47.619
14 3G5K BB2 47.619
15 3G5K BB2 47.619
Pocket No.: 2; Query (leader) PDB : 1G27; Ligand: BB1; Similar sites found with APoc: 15
This union binding pocket(no: 2) in the query (biounit: 1g27.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4EOX 0S5 38.6905
2 1Q1Y BB2 38.6905
3 2OKL BB2 42.2619
4 2OKL BB2 42.2619
5 5MTE BB2 44.5255
6 5MTE BB2 44.5255
7 3G5K BB2 47.619
8 3G5K BB2 47.619
9 3G5K BB2 47.619
10 3G5K BB2 47.619
11 1LQY BB2 47.619
12 3G5K BB2 47.619
13 3G5K BB2 47.619
14 3G5K BB2 47.619
15 3G5K BB2 47.619
Pocket No.: 3; Query (leader) PDB : 1G27; Ligand: BB1; Similar sites found with APoc: 17
This union binding pocket(no: 3) in the query (biounit: 1g27.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5JF2 SF7 38.0952
2 4EOX 0S5 38.6905
3 1Q1Y BB2 38.6905
4 3G6N MET ALA SER 38.6905
5 2OKL BB2 42.2619
6 2OKL BB2 42.2619
7 5MTE BB2 44.5255
8 5MTE BB2 44.5255
9 3G5K BB2 47.619
10 3G5K BB2 47.619
11 3G5K BB2 47.619
12 3G5K BB2 47.619
13 3G5K BB2 47.619
14 3G5K BB2 47.619
15 1LQY BB2 47.619
16 3G5K BB2 47.619
17 3G5K BB2 47.619
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