Receptor
PDB id Resolution Class Description Source Keywords
1L0I 1.2 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF BUTYRYL-ACP I62M MUTANT ESCHERICHIA COLI ACYL CARRIER PROTEIN ACYL CHAIN BINDING FATTY ACID BIOSYNTLIPID TRANSPORT
Ref.: X-RAY CRYSTALLOGRAPHIC STUDIES ON BUTYRYL-ACP REVEA FLEXIBILITY OF THE STRUCTURE AROUND A PUTATIVE ACYL BINDING SITE STRUCTURE V. 10 825 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CAC A:1003;
Invalid;
none;
submit data
136.989 C2 H6 As O2 C[As]...
NA A:1001;
Invalid;
none;
submit data
22.99 Na [Na+]
PSR A:78;
Valid;
none;
submit data
428.438 C15 H29 N2 O8 P S CCCC(...
ZN A:1002;
A:1004;
A:1005;
A:1006;
A:1007;
A:1008;
A:1009;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1L0I 1.2 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF BUTYRYL-ACP I62M MUTANT ESCHERICHIA COLI ACYL CARRIER PROTEIN ACYL CHAIN BINDING FATTY ACID BIOSYNTLIPID TRANSPORT
Ref.: X-RAY CRYSTALLOGRAPHIC STUDIES ON BUTYRYL-ACP REVEA FLEXIBILITY OF THE STRUCTURE AROUND A PUTATIVE ACYL BINDING SITE STRUCTURE V. 10 825 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 1L0I - PSR C15 H29 N2 O8 P S CCCC(=O)SC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 186 families.
1 1L0I - PSR C15 H29 N2 O8 P S CCCC(=O)SC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 157 families.
1 1L0I - PSR C15 H29 N2 O8 P S CCCC(=O)SC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PSR; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 PSR 1 1
2 H2V 0.779412 0.967213
3 PNS 0.647059 0.966667
4 9EF 0.637681 0.904762
5 AFY 0.578313 0.867647
6 N7E 0.571429 0.876923
7 PAZ 0.567164 0.852459
8 S2N 0.561798 0.921875
9 JQG 0.55 0.934426
10 9Z3 0.539474 0.918033
11 4PS 0.519481 0.966667
12 SH3 0.511364 0.77027
13 9Z6 0.488372 0.890625
14 MYM 0.463636 0.808219
15 BCO 0.463415 0.689655
16 8H6 0.4625 0.822581
17 FK4 0.454545 0.852941
18 3B2 0.446602 0.763158
19 OPI 0.428571 0.774194
20 MZD 0.42735 0.786667
21 PN4 0.407895 0.774194
22 HXC 0.401515 0.674157
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1L0I; Ligand: PSR; 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: 1l0i.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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