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Ligand · U0E

U0E · N-[[1-[N-acetamidyl]-[1-cyclohexylmethyl-2-hydroxy-4-isopropyl]-but-4-yl]-carbonyl]-glutaminyl-arginyl-amide

U0E, N-[[1-[N-acetamidyl]-[1-cyclohexylmethyl-2-hydroxy-4-isopropyl]-but-4-yl]-carbonyl]-glutaminyl-arginyl-amide (C28 H52 N8 O6, 596.8 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site…

Component
U0E
Formula
C28 H52 N8 O6
Class
ligand
Structures
10
PDB entries
5

Binding sites

U0E in 10 structures; the first of them:

  • 1A9M · G48H mutant of HIV-1 protease in complex with a peptidic inhibitor U-89360E · U0E B100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, HIS48, GLY49, ILE50 and 18 more
  • 1AXA · Active-site mobility in human immunodeficiency virus type 1 protease as demonstrated by… · U0E A100 · binds ARG8, LEU23, ASP25, GLY27, SER28, GLY48, GLY49, ILE50 and 16 more
  • 1GNM · HIV-1 protease mutant with val 82 replaced by asp (V82D) complexed with U89360E… · U0E A100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, GLY48, GLY49, ILE50 and 16 more
  • 1GNN · HIV-1 protease mutant with val 82 replaced by asn (V82N) complexed with U89360E… · U0E A100 · binds ARG8, ASP25, GLY27, ALA28, GLY48, GLY49, ILE50, PRO81 and 15 more
  • 1GNO · HIV-1 protease (wild type) complexed with U89360E (inhibitor) · U0E B100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, GLY48, GLY49 and 15 more
  • 1A9M · G48H mutant of HIV-1 protease in complex with a peptidic inhibitor U- 89360E · U0E B100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, HIS48, GLY49, ILE50 and 18 more
  • 1AXA · Active-site mobility in human immunodeficiency virus type 1 protease as demonstrated by… · U0E A100 · binds ARG8, LEU23, ASP25, GLY27, SER28, GLY48, GLY49, ILE50 and 16 more
  • 1GNM · HIV-1 protease mutant with val 82 replaced by asp (V82D) complexed with U89360E… · U0E A100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, GLY48, GLY49, ILE50 and 16 more
  • 1GNN · HIV-1 protease mutant with val 82 replaced by asn (V82N) complexed with U89360E… · U0E A100 · binds ARG8, ASP25, GLY27, ALA28, GLY48, GLY49, ILE50, PRO81 and 15 more
  • 1GNO · HIV-1 protease (wild type) complexed with U89360E (inhibitor) · U0E B100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, GLY48, GLY49 and 15 more

Residues it binds most

GLY 18, ILE 18, ASP 18, LEU 18, PRO 18, ALA 14, VAL 14, ARG 18, ASN 4, SER 4 (residue and the binding sites it lines).

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