Receptor
PDB id Resolution Class Description Source Keywords
6CB2 2 Å EC: 3.6.1.27 CRYSTAL STRUCTURE OF ESCHERICHIA COLI UPPP ESCHERICHIA COLI (STRAIN K12) UNDECAPRENYL PYROPHOSPHATE PHOSPHATASE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF AN INTRAMEMBRANAL PHOSPHATASE TO BACTERIAL CELL-WALL PEPTIDOGLYCAN BIOSYNTHESIS A RECYCLING. NAT COMMUN V. 9 1159 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:302;
A:301;
A:304;
A:303;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
OLC A:305;
A:307;
A:308;
A:309;
A:306;
Invalid;
Invalid;
Invalid;
Valid;
Invalid;
none;
none;
none;
none;
none;
submit data
356.54 C21 H40 O4 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6CB2 2 Å EC: 3.6.1.27 CRYSTAL STRUCTURE OF ESCHERICHIA COLI UPPP ESCHERICHIA COLI (STRAIN K12) UNDECAPRENYL PYROPHOSPHATE PHOSPHATASE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF AN INTRAMEMBRANAL PHOSPHATASE TO BACTERIAL CELL-WALL PEPTIDOGLYCAN BIOSYNTHESIS A RECYCLING. NAT COMMUN V. 9 1159 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6CB2 - OLC C21 H40 O4 CCCCCCCCC=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6CB2 - OLC C21 H40 O4 CCCCCCCCC=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6CB2 - OLC C21 H40 O4 CCCCCCCCC=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OLC; Similar ligands found: 71
No: Ligand ECFP6 Tc MDL keys Tc
1 OLC 1 1
2 OLB 1 1
3 MVC 0.958333 1
4 78N 0.9375 1
5 78M 0.9375 1
6 1QW 0.808511 0.969697
7 GYM 0.808511 0.969697
8 NKP 0.683333 0.688889
9 1AG 0.62069 1
10 D3D 0.597222 0.733333
11 PGW 0.597222 0.733333
12 PGV 0.589041 0.733333
13 DR9 0.589041 0.733333
14 P6L 0.581081 0.733333
15 S12 0.577465 0.627451
16 OZ2 0.573333 0.733333
17 PGM 0.571429 0.727273
18 D21 0.558824 0.652174
19 P3A 0.558442 0.733333
20 NKN 0.533333 0.666667
21 NKO 0.533333 0.666667
22 DGA 0.525424 0.828571
23 L2C 0.525424 0.828571
24 DDR 0.525424 0.828571
25 FAW 0.525424 0.828571
26 ELA 0.519231 0.617647
27 NER 0.519231 0.617647
28 OLA 0.519231 0.617647
29 LOP 0.5 0.603774
30 L9Q 0.5 0.603774
31 6OU 0.5 0.603774
32 VCA 0.490566 0.617647
33 PAM 0.490566 0.617647
34 ZPE 0.487179 0.603774
35 MPG 0.483871 0.941176
36 TGL 0.482759 0.722222
37 PGT 0.472222 0.711111
38 LHG 0.472222 0.711111
39 1O2 0.46988 0.711111
40 LBR 0.469697 0.805556
41 B7N 0.469136 0.607843
42 PVC 0.46875 0.815789
43 3TF 0.464286 0.711111
44 RCL 0.453125 0.705882
45 G2A 0.446429 0.882353
46 2JT 0.446429 0.882353
47 GP7 0.435294 0.603774
48 2WA 0.432836 0.885714
49 2WM 0.432836 0.885714
50 3WM 0.432836 0.885714
51 1L2 0.428571 0.711111
52 PGK 0.426829 0.666667
53 LPP 0.426471 0.630435
54 3PH 0.426471 0.630435
55 6PH 0.426471 0.630435
56 F57 0.426471 0.630435
57 7PH 0.426471 0.630435
58 AGA 0.421053 0.711111
59 PX8 0.42029 0.608696
60 PX2 0.42029 0.608696
61 7P9 0.42029 0.630435
62 18C 0.41791 0.608696
63 16C 0.41791 0.608696
64 SPL 0.41791 0.608696
65 PEK 0.411765 0.603774
66 VA 0.40678 0.617647
67 GGD 0.40625 0.680851
68 8ND 0.405797 0.636364
69 CD4 0.405405 0.666667
70 CDL 0.4 0.622222
71 EIC 0.4 0.647059
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6CB2; Ligand: OLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6cb2.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6CB2; Ligand: OLC; 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: 6cb2.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6CB2; Ligand: OLC; 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: 6cb2.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6CB2; Ligand: OLC; 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: 6cb2.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 6CB2; Ligand: OLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 6cb2.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 6CB2; Ligand: OLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 6cb2.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 6CB2; Ligand: OLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 6cb2.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 6CB2; Ligand: OLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 6cb2.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 6CB2; Ligand: OLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 6cb2.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 6CB2; Ligand: OLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 6cb2.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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