Receptor
PDB id Resolution Class Description Source Keywords
5U0L 2.29 Å EC: 1.2.1.71 X-RAY CRYSTAL STRUCTURE OF FATTY ALDEHYDE DEHYDROGENASE ENZY MARINOBACTER AQUAEOLEI VT8 COMPLEXED WITH A SUBSTRATE MARINOBACTER HYDROCARBONOCLASTICUS (ST700491 / DSM 11845 / VT8) DEHYDROGENASE OXIDOREDUCTASE
Ref.: FIVE FATTY ALDEHYDE DEHYDROGENASE ENZYMES FROM MARI AND ACINETOBACTER SPP. AND STRUCTURAL INSIGHTS INTO ALDEHYDE BINDING POCKET. APPL. ENVIRON. MICROBIOL. V. 83 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:505;
A:503;
A:504;
A:502;
A:509;
A:508;
A:506;
A:501;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
PO4 B:504;
 Invalid;
 none;
 submit data
94.971 O4 P [O-]P...
MPD B:502;
B:501;
 Invalid;
Invalid;
 none;
none;
 submit data
118.174 C6 H14 O2 C[C@@...
CL B:503;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
8YP A:507;
 Valid;
 Atoms found LESS than expected: % Diff = 0.273;
 submit data
156.265 C10 H20 O CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5U0L 2.29 Å EC: 1.2.1.71 X-RAY CRYSTAL STRUCTURE OF FATTY ALDEHYDE DEHYDROGENASE ENZY MARINOBACTER AQUAEOLEI VT8 COMPLEXED WITH A SUBSTRATE MARINOBACTER HYDROCARBONOCLASTICUS (ST700491 / DSM 11845 / VT8) DEHYDROGENASE OXIDOREDUCTASE
Ref.: FIVE FATTY ALDEHYDE DEHYDROGENASE ENZYMES FROM MARI AND ACINETOBACTER SPP. AND STRUCTURAL INSIGHTS INTO ALDEHYDE BINDING POCKET. APPL. ENVIRON. MICROBIOL. V. 83 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5U0L - 8YP C10 H20 O CCCCCCCCCC....
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 5U0L - 8YP C10 H20 O CCCCCCCCCC....
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 5U0L - 8YP C10 H20 O CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 8YP; Similar ligands found: 24
No: Ligand ECFP6 Tc MDL keys Tc
1 UNA 1 1
2 OCD 1 1
3 8YP 1 1
4 OYA 0.954545 1
5 O8Y 0.666667 0.857143
6 B7M 0.575758 0.75
7 PTL 0.541667 0.714286
8 1EY 0.529412 0.6875
9 TWT 0.5 0.733333
10 R16 0.5 0.733333
11 LFA 0.5 0.733333
12 UND 0.5 0.733333
13 D12 0.5 0.733333
14 TRD 0.5 0.733333
15 D10 0.5 0.733333
16 MYS 0.5 0.733333
17 DD9 0.5 0.733333
18 C14 0.5 0.733333
19 8K6 0.5 0.733333
20 3X1 0.457143 0.65
21 OCT 0.454545 0.733333
22 ELA 0.421053 0.636364
23 OLA 0.421053 0.636364
24 NER 0.421053 0.636364
Similar Ligands (3D)
Ligand no: 1; Ligand: 8YP; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5U0L; Ligand: 8YP; 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: 5u0l.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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