Receptor
PDB id Resolution Class Description Source Keywords
3WJO 2.45 Å EC: 2.5.1.- CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI WITH ISOPENTENYL PYROPHOSPHATE (IPP) ESCHERICHIA COLI PRENYLTRANSFERASE SITE-DIRECTED MUTAGENESIS PRODUCT CHAIN TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF LIGAND-BOUND OCTAPRENYL PYROP SYNTHASE FROM ESCHERICHIA COLI REVEAL THE CATALYTIC CHAIN-LENGTH DETERMINING MECHANISMS PROTEINS 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IPE A:401;
A:402;
Valid;
Valid;
none;
none;
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246.092 C5 H12 O7 P2 CC(=C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WJO 2.45 Å EC: 2.5.1.- CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI WITH ISOPENTENYL PYROPHOSPHATE (IPP) ESCHERICHIA COLI PRENYLTRANSFERASE SITE-DIRECTED MUTAGENESIS PRODUCT CHAIN TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF LIGAND-BOUND OCTAPRENYL PYROP SYNTHASE FROM ESCHERICHIA COLI REVEAL THE CATALYTIC CHAIN-LENGTH DETERMINING MECHANISMS PROTEINS 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 5ZE6 - HJX C21 H34 O4 CCCCCCCCCC....
2 3WJO - IPE C5 H12 O7 P2 CC(=C)CCO[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 5ZE6 - HJX C21 H34 O4 CCCCCCCCCC....
2 3WJO - IPE C5 H12 O7 P2 CC(=C)CCO[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5ZE6 - HJX C21 H34 O4 CCCCCCCCCC....
2 3WJO - IPE C5 H12 O7 P2 CC(=C)CCO[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IPE; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 IPE 1 1
2 IP8 0.617647 0.918919
3 0O3 0.589744 0.871795
4 0CJ 0.536585 0.780488
5 P23 0.527778 0.815789
6 ISY 0.487805 0.85
7 DED 0.487179 0.653061
8 IPR 0.475 0.820513
9 P25 0.463415 0.825
10 P22 0.444444 0.710526
11 0CH 0.439024 0.731707
12 43W 0.439024 0.789474
13 EIP 0.431818 0.846154
14 0JX 0.428571 0.810811
15 DMA 0.428571 0.794872
16 0K2 0.418605 0.74359
17 BHI 0.413043 0.767442
18 DP6 0.408163 0.785714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3WJO; Ligand: IPE; 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: 3wjo.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3WJO; Ligand: IPE; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 3wjo.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4UMJ BFQ 38.5135
2 4UMJ BFQ 38.5135
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