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Ligand · SUI

SUI · (3-amino-2,5-dioxo-1-pyrrolidinyl)acetic acid

SUI, (3-amino-2,5-dioxo-1-pyrrolidinyl)acetic acid (C6 H8 N2 O4, 172.1 g/mol), in the MolNFT structures on GenesisL1: bound in 17 records (17 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
SUI
Formula
C6 H8 N2 O4
Class
ligand
Structures
17
PDB entries
17

Binding sites

SUI in 17 structures; the first of them:

  • 1GKT · Neutron laue diffraction structure of endothiapepsin complexed with transition state… · SUI A54 · binds GLU52, VAL53, GLN56, THR57, THR117, SER120
  • 1GVT · Endothiapepsin complex with cp-80,794 · SUI A54 · binds GLU52, VAL53, GLN56, THR57, THR117, SER120
  • 1GVU · Endothiapepsin complex with H189 · SUI A54 · binds GLU52, VAL53, GLN56, THR57, THR117, SER120
  • 1GVV · Five atomic resolution structures of endothiapepsin inhibitor complexes; implications for… · SUI A54 · binds GLU52, VAL53, GLN56, THR57, THR117, SER120
  • 1GVW · Endothiapepsin complex with pd-130,328 · SUI A54 · binds GLU52, VAL53, GLN56, THR57, THR117, SER120
  • 1GVX · Endothiapepsin complexed with H256 · SUI A54 · binds GLU52, VAL53, GLN56, THR57, THR117, SER120
  • 1OEW · Atomic resolution structure of native endothiapepsin · SUI A54 · binds GLU52, VAL53, GLN55, THR56, THR116, SER119
  • 1OEX · Atomic resolution structure of endothiapepsin in complex with a hydroxyethylene… · SUI A54 · binds GLU52, VAL53, GLN55, THR56, THR116, SER119
  • 2JJI · Endothiapepsin in complex with a gem-diol inhibitor. · SUI A54 · binds GLU52, VAL53, GLN56, THR57, THR117, SER120
  • 2JJJ · Endothiapepsin in complex with a gem-diol inhibitor. · SUI A54 · binds GLU52, VAL53, GLN56, THR57, THR117, SER120
  • 2OWC · Structure of a covalent intermediate in thermus thermophilus amylomaltase · SUI A370 · binds PHE368, ASP369, MET372, GLU373, ASN374, LEU377, PHE413
  • 2OWW · Covalent intermediate in amylomaltase in complex with the acceptor analog 4-deoxyglucose · SUI A370 · binds PHE368, ASP369, MET372, GLU373, ASN374, LEU377, PHE413
  • 2OWX · Thermus thermophilus amylomaltase at pH 5.6 · SUI A370 · binds PHE368, ASP369, MET372, GLU373, ASN374, LEU377, PHE413
  • 2VS2 · Neutron diffraction structure of endothiapepsin in complex with a gem- diol inhibitor. · SUI A54 · binds GLU52, VAL53, GLN56, THR57, THR117, SER120
  • 3URI · Endothiapepsin-DB5 complex. · SUI A54 · binds GLU52, VAL53, GLN55, THR56, THR116, SER119
  • 3URJ · Type IV native endothiapepsin · SUI A54 · binds GLU52, VAL53, GLN55, THR56, THR116, SER119
  • 3URL · Endothiapepsin-DB6 complex. · SUI A54 · binds GLU52, VAL53, GLN55, THR56, THR116, SER119

Residues it binds most

THR 14, GLU 17, GLN 14, SER 14, VAL 14, PHE 3, ASN 3, ASP 3, LEU 3, MET 3 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol
  • 0QS · N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide
  • MLI · Malonate ion
  • AC1 · 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose
  • BOC · Tert-butyl hydrogen carbonate
  • PUK · N-[(2S)-2-amino-3-phenylpropyl]-L-phenylalanine
  • GLC · alpha-D-glucopyranose
  • 0EM · N-(tert-butoxycarbonyl)-L-phenylalanyl-N-{(1S)-1-[(R)-hydroxy(2-{[(2S)-2-methylbutyl]amino}-2-oxoethyl)phosphoryl]-3-methylbutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide
  • 0GM · N-[(5S,9S,10S,13S)-9-hydroxy-5,10-bis(2-methylpropyl)-4,7,12,16-tetraoxo-3,6,11,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-trien-13-yl]-3-(naphthalen-1-yl)-2-(naphthalen-1-ylmethyl)propanamide
  • 13E · N-[(2S)-2-amino-3-phenylpropyl]-L-methionine
  • 2ZS · N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R,2S)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl-L-cysteinamide

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