Ligand · B1A

B1A · ~{N}-(4-phenylazanylphenyl)ethanamide

B1A, ~{N}-(4-phenylazanylphenyl)ethanamide (C14 H14 N2 O, 226.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component: B1A
Formula: C14 H14 N2 O
Class: ligand
Structures: 3
PDB entries: 3

Binding sites

B1A in 3 structures; the first of them:

5Q28 · Pandda analysis group deposition -- crystal structure of DCLRE1A in complex with… · B1A A1103 · binds VAL1004, GLN1005, LYS1008, PRO1009, GLN1010, LYS1011, ILE1012, PHE1031 and 4 more
5S35 · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP3 macrodomain in… · B1A A501 · binds GLY130, GLY133, ALA134, ASP135, PRO136, ASP157, LEU160
7B99 · Notum fragment 283 · B1A A511 · binds PHE268, LEU269, ASP270, ASN271, THR288, PHE320, GLN343, VAL346

Residues it binds most

ASP 2, GLN 2, LYS 1, PHE 2, ALA 2, GLY 1, LEU 2, PRO 2, VAL 2, ASN 1 (residue and the binding sites it lines).

Found with

NI · Nickel (II) ion
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
SO4 · Sulfate ion
DMS · Dimethyl sulfoxide
MLI · Malonate ion

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