Receptor
PDB id Resolution Class Description Source Keywords
2CFZ 2.05 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF SDSA1, AN ALKYLSULFATASE FROM PSEUDOMON AERUGINOSA, IN COMPLEX WITH 1-DODECANOL PSEUDOMONAS AERUGINOSA HYDROLASE
Ref.: THE CRYSTAL STRUCTURE OF SDSA1, AN ALKYLSULFATASE F PSEUDOMONAS AERUGINOSA, DEFINES A THIRD CLASS OF SU PROC.NATL.ACAD.SCI.USA V. 103 7631 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1DO A:1655;
 Valid;
 none;
 submit data
186.334 C12 H26 O CCCCC...
PEG A:1656;
A:1657;
A:1658;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
106.12 C4 H10 O3 C(COC...
ZN A:1001;
A:1002;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CFU 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF SDSA1, AN ALKYLSULFATASE FROM PSEUDOMONAS AERUGINOSA, IN COMPLEX WITH 1-DECANE-SULFONIC- A CID. PSEUDOMONAS AERUGINOSA SDS-HYDROLASE SDSA1 LACTAMASE HYDROLASE
Ref.: THE CRYSTAL STRUCTURE OF SDSA1, AN ALKYLSULFATASE F PSEUDOMONAS AERUGINOSA, DEFINES A THIRD CLASS OF SULFATASES. PROC.NATL.ACAD.SCI.USA V. 103 7631 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 2CFU - 1DB C10 H22 O3 S CCCCCCCCCC....
2 2CFZ - 1DO C12 H26 O CCCCCCCCCC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 2CFU - 1DB C10 H22 O3 S CCCCCCCCCC....
2 2CFZ - 1DO C12 H26 O CCCCCCCCCC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 2CFU - 1DB C10 H22 O3 S CCCCCCCCCC....
2 2CFZ - 1DO C12 H26 O CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 1DO; Similar ligands found: 40
No: Ligand ECFP6 Tc MDL keys Tc
1 DE1 1 1
2 O8N 1 1
3 OC9 1 1
4 1DO 1 1
5 PL3 1 1
6 F09 1 1
7 HE4 0.944444 1
8 HE2 0.789474 0.952381
9 PE9 0.631579 0.904762
10 ODI 0.611111 0.666667
11 HEZ 0.555556 0.666667
12 1BO 0.526316 0.761905
13 B8M 0.5 0.913043
14 9JE 0.473684 0.625
15 BOM 0.441176 0.826087
16 BDD 0.44 0.666667
17 JAO 0.419355 0.863636
18 EW8 0.413793 0.75
19 DAO 0.413793 0.75
20 KNA 0.413793 0.75
21 MYR 0.413793 0.75
22 DCR 0.413793 0.75
23 12H 0.413793 0.615385
24 F23 0.413793 0.75
25 TDA 0.413793 0.75
26 X90 0.413793 0.75
27 STE 0.413793 0.75
28 DKA 0.413793 0.75
29 F15 0.413793 0.75
30 11A 0.413793 0.75
31 PLM 0.413793 0.75
32 C10 0.4 0.714286
33 CE9 0.4 0.714286
34 N8E 0.4 0.714286
35 BHL BHL 0.4 0.666667
36 CE1 0.4 0.714286
37 BHL 0.4 0.666667
38 C8E 0.4 0.714286
39 1EX 0.4 0.782609
40 32M 0.4 0.714286
Similar Ligands (3D)
Ligand no: 1; Ligand: 1DO; Similar ligands found: 13
No: Ligand Similarity coefficient
1 TER 0.9539
2 MD2 0.9412
3 C14 0.9402
4 SPM 0.9257
5 GC7 0.8961
6 BRC 0.8899
7 3X1 0.8879
8 Q9C 0.8853
9 XS6 0.8838
10 3LA 0.8748
11 O48 0.8742
12 U4G 0.8569
13 Y39 0.8531
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CFU; Ligand: 1DB; 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: 2cfu.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2CFU; Ligand: 1DB; 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: 2cfu.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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