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Ligand · 2NC

2NC · N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide

2NC, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide (C35 H68 N11 O8 +1, 771.0 g/mol), in the MolNFT structures on GenesisL1: bound in 62 records (31 PDB…

Component
2NC
Formula
C35 H68 N11 O8 +1
Class
ligand
Structures
62
PDB entries
31

Binding sites

2NC in 62 structures; the first of them:

  • 1FEJ · Structural implications of drug resistant mutants of HIV-1 protease: high resolution… · 2NC D400 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 24 more
  • 1FF0 · Structural implications of drug resistant mutants of HIV-1 protease: high resolution… · 2NC C300 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 24 more
  • 1FFI · Structural implications of drug resistant mutants of HIV-1 protease: high resolution… · 2NC D300 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASN30, VAL32 and 24 more
  • 1FG6 · Structural implications of drug resistant mutants of HIV-1 protease: high resolution… · 2NC D300 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 24 more
  • 1FGC · Structural implications of drug resistant mutants of HIV-1 protease: high resolution… · 2NC C300 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 24 more
  • 2AOC · Crystal structure analysis of HIV-1 protease mutant I84V with a substrate analog P2-NC · 2NC B400 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 25 more
  • 2AOD · Crystal structure analysis of HIV-1 protease with a substrate analog P2-NC · 2NC B400 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 24 more
  • 2AOG · Crystal structure analysis of HIV-1 protease mutant V82A with a substrate analog P2-NC · 2NC A400 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 2AVM · Kinetics, stability, and structural changes in high resolution crystal structures of… · 2NC B300 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 24 more
  • 2AVQ · Kinetics, stability, and structural changes in high resolution crystal structures of… · 2NC B300 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 2J9K · Atomic-resolution Crystal Structure of Chemically-Synthesized HIV-1 Protease Complexed… · 2NC A0 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 25 more
  • 2O40 · Crystal Structure of a Chemically Synthesized 203 Amino Acid 'Covalent Dimer' HIV-1… · 2NC A0 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 25 more
  • 3BVA · Cystal structure of HIV-1 Active Site Mutant D25N and p2-NC analog inhibitor · 2NC B200 · binds ARG8, LEU23, ASN25, GLY27, ALA28, ASP29, ASP30, ILE47 and 22 more
  • 3FSM · CRYSTAL STRUCTURE OF A CHEMICALLY SYNTHESIZED 203 AMINO ACID 'COVALENT DIMER'… · 2NC A204 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 24 more
  • 3HAU · Crystal structure of chemically synthesized HIV-1 protease with reduced isostere MVT-101… · 2NC A0 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 24 more
  • 3HAW · Crystal structure of [L-Ala51/51']HIV-1 protease with reduced isostere MVT-101 inhibitor · 2NC B0 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
  • 3HBO · Crystal structure of chemically synthesized [D-Ala51/51']HIV-1 protease · 2NC A0 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 24 more
  • 3HDK · Crystal structure of chemically synthesized [Aib51/51']HIV-1 protease · 2NC B0 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 24 more
  • 3HLO · Crystal structure of chemically synthesized 'covalent dimer' [Gly51/D-Ala51']HIV-1… · 2NC A204 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 25 more
  • 3HZC · Crystal structure of a chemically synthesized 203 amino acid 'covalent dimer'… · 2NC A301 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 24 more
  • 3I2L · Crystal structure of a chemically synthesized [allo-Ile50/50']HIV-1 protease molecule… · 2NC B100 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 23 more
  • 3IA9 · Crystal structure of a chemically synthesized [D25N]HIV-1 protease molecule complexed… · 2NC A100 · binds LEU23, ASN25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 25 more
  • 3IAW · Crystal structure of a chemically synthesized 203 amino acid 'covalent dimer'… · 2NC A204 · binds ASP25, GLY27, ALA28, ASP29, ASP30, ILE47, GLY48, GLY49 and 20 more
  • 3KA2 · Crystal structure of chemically synthesized 203 amino acid 'covalent dimer'… · 2NC A204 · binds ASP25, GLY27, ALA28, ASP29, ASP30, ILE47, GLY48, GLY49 and 21 more
  • 3NWQ · X-ray structure of ester chemical analogue [O-Ile50,O-Ile50']HIV-1 protease complexed… · 2NC A100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 24 more
  • 3NXE · X-ray structure of ester chemical analogue 'covalent dimer' [Ile50,O-Ile50']HIV-1… · 2NC A204 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 25 more
  • 3NYG · X-ray structure of ester chemical analogue [O-Gly51,O-Gly51']HIV-1 protease complexed… · 2NC A100 · binds ARG8, LEU10, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30 and 26 more
  • 3UHL · Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20 in Complex… · 2NC C101 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASN30, THR31 and 25 more
  • 4HVP · Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3… · 2NC B0 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 6O57 · Crystal Structure of multi-drug resistant HIV-1 protease PR-S17 with a substrate analog… · 2NC B201 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 29 more
  • 6O5A · Crystal Structure of multi-drug resistant HIV-1 protease PR-S17 with a substrate analog… · 2NC A201 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 27 more
  • 1FEJ · Structural implications of drug resistant mutants of HIV-1 protease: high resolution… · 2NC D400 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 24 more
  • 1FF0 · Structural implications of drug resistant mutants of HIV-1 protease: high resolution… · 2NC C300 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 24 more
  • 1FFI · Structural implications of drug resistant mutants of HIV-1 protease: high resolution… · 2NC D300 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASN30, VAL32 and 24 more
  • 1FG6 · Structural implications of drug resistant mutants of HIV-1 protease: high resolution… · 2NC D300 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 24 more
  • 1FGC · Structural implications of drug resistant mutants of HIV-1 protease: high resolution… · 2NC C300 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 24 more
  • 2AOC · Crystal structure analysis of HIV-1 protease mutant I84V with a substrate analog P2-nc · 2NC B400 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 25 more
  • 2AOD · Crystal structure analysis of HIV-1 protease with a substrate analog P2-nc · 2NC B400 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 24 more
  • 2AOG · Crystal structure analysis of HIV-1 protease mutant V82A with a substrate analog P2-nc · 2NC A400 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 2AVM · Kinetics, stability, and structural changes in high resolution crystal structures of… · 2NC B300 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 24 more

Residues it binds most

GLY 62, ASP 62, ILE 62, VAL 62, LEU 62, ALA 62, PRO 62, THR 60, ARG 56, ASN 8 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol
  • UNX · Unknown atom or ion
  • DMS · Dimethyl sulfoxide
  • ACY · Acetic acid
  • OIL · (2S,3S)-2-hydroxy-3-methylpentanoic acid
  • NA · Sodium ion
  • CL · Chloride ion
  • ACT · Acetate ion
  • FMT · Formic acid
  • GOA · Glycolic acid

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