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Ligand · TFA

TFA · trifluoroacetic acid

TFA, trifluoroacetic acid (C2 H F3 O2, 114.0 g/mol), in the MolNFT structures on GenesisL1: bound in 38 records (34 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
TFA
Formula
C2 H F3 O2
Class
additive
Structures
38
PDB entries
34

Binding sites

TFA in 38 structures; the first of them:

  • 5LWT · Endothiapepsin in complex with a methoxylated derivative of fragment 177 · TFA A411 · binds GLY241, ALA242, LYS243, VAL252, PHE253, PRO254, SER288, SER289 and 1 more
  • 5OTZ · The crystal structure of CK2alpha in complex with compound 1 · TFA A403 · binds VAL53, VAL66, LYS68, ILE95, PHE113, ILE174, ASP175
  • 5WMJ · KVWGSI segment from Superoxide Dismutase 1,residues 30-35 · TFA B101 · binds LYS1, TRP3, SER5
  • 6AY7 · Cartilage homing cysteine-dense-peptides · TFA A103 · binds HIS9, SER10, GLY11
  • 7QNS · Peptide VYEKKP in complex with human cathepsin V C25S mutant · TFA AA303 · binds GLU121, LYS122, MET125, LYS183, TRP185, LYS205, ASP206
  • 8T89 · Racemic mixture of amyloid beta segment 16-KLVFFA-21 forms heterochiral rippled beta-sheet · TFA A101 · binds LYS16, LEU17
  • 8UKZ · Structure of P450Blt from Micromonospora sp. MW-13 with E238A Mutation · TFA A402 · binds LEU102, HIS103, LEU107, GLY348, LEU349, GLY92, HIS96
  • 5KI9 · Crystal structure of human beta-defensin 4 (HBD4) · TFA A104 · binds ARG14, ARG16, ARG20
  • 5LWS · Endothiapepsin in complex with fragment 177 and a derivative thereof · TFA A411 · binds GLY241, LYS243, VAL252, PHE253, PRO254, SER288, SER289
  • 5LWT · Endothiapepsin in complex with a methoxylated derivative of fragment 177 · TFA A411 · binds GLY241, LYS243, VAL252, PHE253, PRO254, SER288, SER289
  • 5LWU · Structure resulting from an endothiapepsin crystal soaked with a dimeric derivative of… · TFA A403 · binds GLY241, LYS243, VAL252, PHE253, PRO254, SER288, SER289
  • 5OTY · The crystal structure of CK2ALPHA in complex with CAM4712 · TFA A404 · binds VAL66, LYS68, PHE113, ILE174, ASP175
  • 5OTZ · The crystal structure of CK2ALPHA in complex with compound 1 · TFA A403 · binds VAL66, LYS68, PHE113, ILE174, ASP175
  • 5OUL · The crystal structure of CK2ALPHA in complex with compound 9 · TFA A409 · binds VAL66, LYS68, PHE113, ILE174, ASP175
  • 5PAF · Crystal structure of factor viia in complex with N-(2-amino-1H… · TFA B509 · binds ASN300, HIS301, THR384, TYR386
  • 5RV1 · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP3 macrodomain in… · TFA A201 · binds ALA129, GLY130, VAL155, PHE156, ASP157, LEU160
  • 5SRH · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP3 macrodomain in… · TFA A301 · binds LEU126, ALA129, GLY130, PRO136, VAL155, PHE156, ASP157, LEU160
  • 5SRP · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP3 macrodomain in… · TFA A202 · binds ALA129, GLY130, VAL155, PHE156, ASP157, LEU160
  • 5V7Y · Prolyl 4-hydroxylase interacts with and modifies elongation factor tu · TFA A303 · binds TYR118, TYR124, VAL147, THR159, HIS193, GLY194, GLY195, LYS203 and 1 more
  • 5VWV · Bak core latch dimer in complex with bim-BH3 - cubic · TFA A201 · binds TYR38, ARG42, ASN86, TYR89, PHE93, ALA130, GLY133, ARG137 and 2 more
  • 5WMJ · Kvwgsi segment from superoxide dismutase 1,RESIDUES 30-35 · TFA B101 · binds LYS1, TRP3, SER5
  • 6AY7 · Cartilage homing cysteine-dense-peptides · TFA A103 · binds HIS9, SER10, GLY11
  • 6C3F · Amyloid forming peptide iykvei from transthyretin · TFA A101 · binds ILE1, ILE6
  • 6FMF · Neuropilin-1 B1 domain in complex with EG01377; 2.8 ångström structure · TFA A502 · binds GLN296, TYR297, SER298, THR299
  • 6MVZ · Mle-phe-mle-phe. linear precursor of pseudoxylallemycin a. · TFA A2001 · binds PHE1004
  • 6T57 · Thrombin in complex with a D-phe-pro-N-amidinopiperidine derivative · TFA H307 · binds LEU41, HIS57, TRP60D, LYS60F, GLU192, GLY193, SER195
  • 6T9U · Bovine trypsine in complex with the synthetic inhibitor (S)-3'-(N-(1… · TFA A304 · binds PHE41, HIS57, GLN192, GLY193, SER195
  • 6T9V · Bovine trypsin in complex with the synthetic inhibitor (S)-3-(3-(4-(3… · TFA A301 · binds PHE41, HIS57, GLN192, GLY193, SER195
  • 6TAL · 3C-like protease from southampton virus complexed with FMOPL000227A. · TFA A201 · binds ARG100, LEU122, LEU122
  • 6TQS · The crystal structure of the msp domain of human MOSPD2 in complex with the conventional… · TFA A503 · binds PHE323, GLY325, PRO326, LEU327, LEU328, ILE330, ALA409, MET436 and 2 more

Residues it binds most

LEU 23, GLY 25, PHE 23, ILE 19, LYS 20, VAL 21, ALA 18, HIS 19, SER 16, TYR 10 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • CA · Calcium ion
  • NA · Sodium ion
  • 7B3 · 4-methoxy-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine
  • AUT · [3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine
  • MG · Magnesium ion
  • PO4 · Phosphate ion
  • MPD · (4S)-2-methyl-2,4-pentanediol

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