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Ligand · DCE

DCE · 1,2-dichloroethane

DCE, 1,2-dichloroethane (C2 H4 Cl2, 99.0 g/mol), in the MolNFT structures on GenesisL1: bound in 15 records (8 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
DCE
Formula
C2 H4 Cl2
Class
ligand
Structures
15
PDB entries
8

Binding sites

DCE in 15 structures; the first of them:

  • 1APH · Conformational changes in cubic insulin crystals in the pH range 7-11 · DCE B200 · binds SER9, VAL12, GLU13, TYR16
  • 1BPH · Conformational changes in cubic insulin crystals in the pH range 7-11 · DCE B200 · binds SER9, VAL12, GLU13, TYR16
  • 1CPH · Conformational changes in cubic insulin crystals in the pH range 7-11 · DCE B200 · binds SER9, VAL12, GLU13, TYR16
  • 1DPH · Conformational changes in cubic insulin crystals in the pH range 7-11 · DCE B200 · binds SER9, VAL12, GLU13, TYR16
  • 1G5F · Structure of linb complexed with 1,2-dichloroethane · DCE A601 · binds ASN38, ASP108, PHE143, PRO144, PHE151, PHE169, VAL173, LEU177 and 3 more
  • 2DHC · Crystallographic analysis of the catalytic mechanism of haloalkane dehalogenase · DCE A600 · binds GLU56, ASP124, TRP125, PHE128, PHE172, TRP175, PHE222, PRO223 and 3 more
  • 2O2H · Crystal structure of haloalkane dehalogenase Rv2579 from Mycobacterium tuberculosis… · DCE A303 · binds ASP109, TRP144, PRO145, VAL148, PHE152, VAL174, ALA178, ALA248 and 2 more
  • 3G4R · Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co… · DCE A150 · binds TRP22, ILE25, LEU36, MET74, LEU77, ILE118, LEU122, TRP135
  • 1APH · Conformational changes in cubic insulin crystals in the pH range 7-11 · DCE B200 · binds SER9, VAL12, GLU13, TYR16
  • 1BPH · Conformational changes in cubic insulin crystals in the pH range 7-11 · DCE B200 · binds SER9, VAL12, GLU13, TYR16
  • 1CPH · Conformational changes in cubic insulin crystals in the pH range 7-11 · DCE B200 · binds SER9, VAL12, GLU13, TYR16
  • 1DPH · Conformational changes in cubic insulin crystals in the pH range 7-11 · DCE B200 · binds SER9, VAL12, GLU13, TYR16
  • 1G5F · Structure of linb complexed with 1,2-dichloroethane · DCE A601 · binds ASN38, ASP108, PHE143, PRO144, PHE151, PHE169, VAL173, LEU177 and 3 more
  • 2DHC · Crystallographic analysis of the catalytic mechanism of haloalkane dehalogenase · DCE A600 · binds GLU56, ASP124, TRP125, PHE128, PHE172, TRP175, PHE222, PRO223 and 3 more
  • 2O2H · Crystal structure of haloalkane dehalogenase RV2579 from mycobacterium tuberculosis… · DCE A303 · binds ASP109, TRP144, PRO145, VAL148, PHE152, VAL174, ALA178, ALA248 and 2 more

Residues it binds most

VAL 14, PHE 6, LEU 6, GLU 10, TRP 6, SER 8, TYR 8, ALA 4, ASP 6, HIS 6 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • CL · Chloride ion
  • CA · Calcium ion
  • ACT · Acetate ion
  • HEM · Protoporphyrin IX containing Fe
  • CMO · Carbon monoxide

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