Ligand · JFP

JFP · N-(4-methyl-1,3-thiazol-2-yl)propanamide

JFP, N-(4-methyl-1,3-thiazol-2-yl)propanamide (C7 H10 N2 O S, 170.2 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component: JFP
Formula: C7 H10 N2 O S
Class: ligand
Structures: 7
PDB entries: 6

Binding sites

JFP in 7 structures; the first of them:

5QDJ · PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with… · JFP A401 · binds ASP11, TRP16, ALA264, ASP265, ARG268
5SNT · PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa… · JFP A501 · binds ILE109, ILE115, PHE134, VAL135, SER138, ILE139, ILE140, ILE109 and 4 more
9F5E · UP1 in complex with Z30820160 · JFP A201 · binds LYS15, PHE17, PHE59, LYS87, ARG88, ALA89, GLY99, HIS101
5QDJ · Pandda analysis group deposition -- crystal structure of PTP1B in complex with… · JFP A401 · binds ASP11, TRP16, ALA264, ASP265, ARG268
5QS4 · Pandda analysis group deposition -- crystal structure of human brachyury in complex with… · JFP A306 · binds SER89, ILE125, SER129, VAL175
5S3D · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP3 macrodomain in… · JFP A401 · binds ALA21, ASP22, ILE23, VAL49, ALA52, ALA154, PHE156
7B7Y · Notum-FRAGMENT064 · JFP A512 · binds TRP128, SER232, ALA233, THR236, PHE268, PHE319, ALA342

Residues it binds most

ALA 5, ILE 3, SER 5, ASP 4, PHE 4, ARG 5, LEU 4, VAL 5, GLN 4, HIS 4 (residue and the binding sites it lines).

Found with

DMS · Dimethyl sulfoxide
TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol
CD · Cadmium ion
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
PO4 · Phosphate ion
SO4 · Sulfate ion
EDO · 1,2-ethanediol

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