Receptor
PDB id Resolution Class Description Source Keywords
1YXM 1.9 Å EC: 1.3.1.8 CRYSTAL STRUCTURE OF PEROXISOMAL TRANS 2-ENOYL COA REDUCTASE HOMO SAPIENS PERIOXISOMES FATTY ACID SYNTHESIS ENOYL COA SHORT-CHAIN DEHYDROGENASES/REDUCTASES STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF PERIXOMAL TRANS 2-ENOYL COA REDUCTASE (PECRA) TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADE B:4002;
Valid;
none;
submit data
135.127 C5 H5 N5 c1[nH...
PO4 B:3001;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
SO4 A:304;
B:4001;
D:1001;
D:2001;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YXM 1.9 Å EC: 1.3.1.8 CRYSTAL STRUCTURE OF PEROXISOMAL TRANS 2-ENOYL COA REDUCTASE HOMO SAPIENS PERIOXISOMES FATTY ACID SYNTHESIS ENOYL COA SHORT-CHAIN DEHYDROGENASES/REDUCTASES STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF PERIXOMAL TRANS 2-ENOYL COA REDUCTASE (PECRA) TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1YXM - ADE C5 H5 N5 c1[nH]c2c(....
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 1YXM - ADE C5 H5 N5 c1[nH]c2c(....
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 1YXM - ADE C5 H5 N5 c1[nH]c2c(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADE; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 ADE 1 1
2 PM6 0.5 0.742857
3 ES4 0.463415 0.685714
4 6AP 0.428571 0.9375
5 XQG 0.422222 0.648649
6 M02 0.411765 0.630435
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YXM; Ligand: ADE; Similar sites found with APoc: 21
This union binding pocket(no: 1) in the query (biounit: 1yxm.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3A4V NAD 2.31023
2 3A4V PYR 2.31023
3 2FR1 NDP 6.3786
4 2GN4 NDP 12.5413
5 2GN4 UD1 12.5413
6 2JAH NDP 40.8907
7 2JAP NDP 40.8907
8 4O0L NDP 41.8182
9 4NBW NAD 44.358
10 3AFN NAP 44.5736
11 2BD0 NAP 46.3115
12 2WSB NAD 47.2441
13 2DTX BMA 48.1061
14 5O42 9JW 48.1752
15 5O42 BGC 48.1752
16 5O42 NAD 48.1752
17 1IY8 NAD 48.3146
18 3A28 NAD 48.4496
19 2RH4 EMO 49.0975
20 4FC7 COA 49.4585
21 4FC7 NAP 49.4585
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