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Ligand · MK1

MK1 · N-[2(R)-hydroxy-1(S)-indanyl]-5-[(2(S)-tertiary butylaminocarbonyl)-4(3-pyridylmethyl)piperazino]-4(S)-hydroxy-2(R)-phenylmethylpentanamide

MK1, N-[2(R)-hydroxy-1(S)-indanyl]-5-[(2(S)-tertiary butylaminocarbonyl)-4(3-pyridylmethyl)piperazino]-4(S)-hydroxy-2(R)-phenylmethylpentanamide (C36 H47 N5 O4, 613.8 g/mol), in the MolNFT structures on GenesisL1: bound in 30 records (15…

Component
MK1
Formula
C36 H47 N5 O4
Class
ligand
Structures
30
PDB entries
15

Binding sites

MK1 in 30 structures; the first of them:

  • 1C6Y · Alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors… · MK1 B524 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 1HSG · Crystal structure at 1.9 ångströms resolution of human immunodeficiency virus (HIV) II… · MK1 B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 1HSH · Crystal structure at 1.9 ångströms resolution of human immunodeficiency virus (HIV) II… · MK1 A401 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, SER31, ILE32 and 22 more
  • 1K6C · Lack of synergy for inhibitors targeting a multi-drug resistant HIV-1 protease · MK1 B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 1SDT · Crystal structures of HIV protease V82A and L90M mutants reveal changes in indinavir… · MK1 B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
  • 1SDU · Crystal structures of HIV protease V82A and L90M mutants reveal changes in indinavir… · MK1 B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 1SDV · Crystal structures of HIV protease V82A and L90M mutants reveal changes in indinavir… · MK1 B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
  • 1SGU · Comparing the Accumulation of Active Site and Non-active Site Mutations in the HIV-1… · MK1 B2632 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, ILE32, ILE47 and 21 more
  • 2AVO · Kinetics, stability, and structural changes in high resolution crystal structures of… · MK1 B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 2AVS · kinetics, stability, and structural changes in high resolution crystal structures of… · MK1 B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 2AVV · Kinetics, stability, and structural changes in high resolution crystal structures of… · MK1 A901 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
  • 2B7Z · Structure of HIV-1 protease mutant bound to indinavir · MK1 B200 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, ILE32, ILE47 and 21 more
  • 2BPX · HIV-1 protease-inhibitor complex · MK1 B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
  • 2R5P · Crystal Structure Analysis of HIV-1 Subtype C Protease Complexed with Indinavir · MK1 B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
  • 3WSJ · HTLV-1 protease in complex with the HIV-1 protease inhibitor Indinavir · MK1 A201 · binds ARG10, LEU30, ASP32, GLY34, ALA35, ASP36, MET37, VAL39 and 19 more
  • 1C6Y · Alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors… · MK1 B524 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 1HSG · Crystal structure at 1.9 ångströms resolution of human immunodeficiency virus (HIV) II… · MK1 B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 1HSH · Crystal structure at 1.9 ångströms resolution of human immunodeficiency virus (HIV) II… · MK1 A401 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, SER31, ILE32 and 22 more
  • 1K6C · Lack of synergy for inhibitors targeting a multi-drug resistant HIV-1 protease · MK1 B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 1SDT · Crystal structures of HIV protease V82A and L90M mutants reveal changes in indinavir… · MK1 B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
  • 1SDU · Crystal structures of HIV protease V82A and L90M mutants reveal changes in indinavir… · MK1 B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 1SDV · Crystal structures of HIV protease V82A and L90M mutants reveal changes in indinavir… · MK1 B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
  • 1SGU · Comparing the accumulation of active site and non-active site mutations in the HIV-1… · MK1 B2632 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, ILE32, ILE47 and 21 more
  • 2AVO · Kinetics, stability, and structural changes in high resolution crystal structures of… · MK1 B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 2AVS · Kinetics, stability, and structural changes in high resolution crystal structures of… · MK1 B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 2AVV · Kinetics, stability, and structural changes in high resolution crystal structures of… · MK1 A901 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
  • 2B7Z · Structure of HIV-1 protease mutant bound to indinavir · MK1 B200 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, ILE32, ILE47 and 21 more
  • 2BPX · HIV-1 protease-inhibitor complex · MK1 B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
  • 2R5P · Crystal structure analysis of HIV-1 subtype C protease complexed with indinavir · MK1 B902 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
  • 3WSJ · HTLV-1 protease in complex with the HIV-1 protease inhibitor indinavir · MK1 A201 · binds ARG10, LEU30, ASP32, GLY34, ALA35, ASP36, MET37, VAL39 and 19 more

Residues it binds most

ASP 36, GLY 36, ILE 36, VAL 36, ALA 36, PRO 34, ARG 36, LEU 36, THR 6, PHE 12 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • SO4 · Sulfate ion
  • ACY · Acetic acid
  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • NA · Sodium ion
  • PO4 · Phosphate ion
  • GOL · Glycerol
  • PG4 · Tetraethylene glycol

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