Ligand · TF4

TF4 · Dichloro-acetic acid

TF4, Dichloro-acetic acid (C2 H2 Cl2 O2, 128.9 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component: TF4
Formula: C2 H2 Cl2 O2
Class: ligand
Structures: 5
PDB entries: 3

Binding sites

TF4 in 5 structures; the first of them:

2BU8 · crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and… · TF4 A1379 · binds LEU53, TYR80, SER83, ILE111, ARG112, HIS115, ARG154, ILE157 and 2 more
2Q8H · Structure of pyruvate dehydrogenase kinase isoform 1 in complex with dichloroacetate (DCA) · TF4 A438 · binds LEU87, TYR114, ILE145, HIS149, VAL152, ARG188, ILE191, ARG192 and 1 more
8R5V · Crystal structure of bovine pancreatic ribonuclease A in complex with [Sp-PS]-mU-dT… · TF4 A202 · binds LYS33, PHE34, GLN37, HIS38, LYS67, VAL144, HIS145, PHE146
2BU8 · Crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and… · TF4 A1379 · binds LEU53, TYR80, SER83, ILE111, ARG112, HIS115, ARG154, ILE157 and 2 more
2Q8H · Structure of pyruvate dehydrogenase kinase isoform 1 in complex with dichloroacetate (dca) · TF4 A438 · binds LEU87, TYR114, ILE145, HIS149, VAL152, ARG188, ILE191, ARG192 and 1 more

Residues it binds most

ARG 4, ILE 4, HIS 6, LEU 4, TYR 4, VAL 4, LYS 2, PHE 2, SER 2, ASN 1 (residue and the binding sites it lines).

Found with

ADP · Adenosine-5'-diphosphate
K · Potassium ion
MG · Magnesium ion
Y4I · 1-[(2~{R},4~{S},5~{R})-5-[[[(2~{R},6~{S})-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-(hydroxymethyl)morpholin-4-yl]-oxidanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

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