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Ligand · 0QE

0QE · Chloromethane

0QE, Chloromethane (C H3 Cl, 50.5 g/mol), in the MolNFT structures on GenesisL1: bound in 24 records (24 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
0QE
Formula
C H3 Cl
Class
ligand
Structures
24
PDB entries
24

Binding sites

0QE in 24 structures; the first of them:

  • 5LU8 · Crystal structure of yvad-cmk bound human legumain (aep) in complex with compound 11B · 0QE C305 · binds ALA303, ASP304, CYS189
  • 5LU9 · Crystal structure of yvad-cmk bound human legumain (aep) in complex with compound 11 · 0QE C305 · binds ALA303, ASP304, CYS189
  • 5MT7 · Structure of E.COLI glpg in complex with peptide derived inhibitor ac- vrha-cmk · 0QE B6 · binds SER201, HIS254, HIS4, ALA5
  • 5MT8 · Structure of E.COLI glpg in complex with peptide derived inhibitor ac- rvrha-cmk · 0QE B7 · binds SER201, MET249, HIS254, HIS5, ALA6
  • 5OBT · Fully activated a. thaliana legumain isoform gamma in complex with ac- yvad-cmk · 0QE C6 · binds CYS219, ALA4, ASP5, TYR307
  • 5PAD · Binding of chloromethyl ketone substrate analogues to crystalline papain · 0QE I5 · binds CYS25, HIS159, PHE3, GLY4
  • 6BDV · Crystal structure of caspase 3 S150A · 0QE C6 · binds GLN161, ALA162, CYS163, SER205, ASP5
  • 6BFJ · Caspase-3 mutant - T245D,S249D · 0QE C6 · binds HIS121, CYS163, TYR204, VAL4, ASP5
  • 6BFK · Caspase-3 mutant- T245A · 0QE F6 · binds CYS163, VAL4, ASP5
  • 6BFL · Caspase-3 mutant- D9A,D28A,T245D · 0QE C6 · binds HIS121, CYS163, VAL4, ASP5
  • 6BFO · Caspase-3 mutant- T245D · 0QE D6 · binds HIS121, CYS163, VAL4, ASP5
  • 6BG0 · Caspase-3 mutant - D9A,D28A,S150D · 0QE G6 · binds CYS163, SER205, VAL4, ASP5
  • 6BG1 · Caspase-3 mutant - D9A,D28A,S150E · 0QE B6 · binds HIS121, CYS163, VAL4, ASP5
  • 6BG4 · Caspase-3 mutant- T152D · 0QE C6 · binds HIS121, CYS163, TYR204, VAL4, ASP5
  • 6BGK · Caspase-3 mutant- D9A,D28A,T152D · 0QE F6 · binds HIS121, CYS163, VAL4, ASP5
  • 6BGQ · Caspase-3 mutant - S150D · 0QE K6 · binds CYS163, TYR204, SER205, VAL4, ASP5
  • 6BGR · Caspase-3 mutant - S150E · 0QE C6 · binds SER120, ALA162, CYS163, ASP5
  • 6BGS · Caspase-3 mutant - S150Y · 0QE B6 · binds CYS163, VAL4, ASP5
  • 6BH9 · Caspase-3 mutant - T152A · 0QE D6 · binds HIS121, CYS163, VAL4, ASP5
  • 6BHA · Caspase-3 mutant - T152V · 0QE C6 · binds SER120, ALA162, CYS163, ASP5
  • 6BZ9 · Crystal structure of human caspase-1 in complex with ac-fltd-cmk · 0QE C6 · binds CYS285, THR4, ASP5
  • 6KD5 · Crystal structure of the extracellular domain of MSPL/TMPRSS13 in complex with… · 0QE C6 · binds HIS366, SER511, LYS4, AR75
  • 6RFK · Crystal structure of egrck-inhibited gla-domainless fixa (K148Q, R150Q variant) · 0QE I4 · binds HIS57, SER195, GLY2, AR73
  • 6VGQ · CLPP1P2 complex from M. tuberculosis with glf-cmk bound to CLPP1 · 0QE U4 · binds SER98, HIS123, PHE3

Residues it binds most

CYS 26, ASP 25, HIS 23, SER 18, VAL 16, ALA 9, TYR 9, PHE 8, GLY 3, AR7 2 (residue and the binding sites it lines).

Found with

  • ACE · Acetyl group
  • AZI · Azide ion
  • NA · Sodium ion
  • CL · Chloride ion
  • SNN · L-3-aminosuccinimide
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • CA · Calcium ion
  • 3Y7 · 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine
  • 5KN · 2,4-di(morpholin-4-yl)aniline
  • BNG · nonyl beta-D-glucopyranoside
  • DKA · Decanoic acid

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