Ligand · NIE
NIE · nitroethane
NIE, nitroethane (C2 H5 N O2, 75.1 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.
- Component
- NIE
- Formula
- C2 H5 N O2
- Class
- ligand
- Structures
- 5
- PDB entries
- 3
Binding sites
NIE in 5 structures; the first of them:
- 3BW3 · Crystal structures and site-directed mutagenesis study of nitroalkane oxidase from… · NIE A371 · binds ALA19, GLY20, TYR44, HIS298, ARG305, TRP320
- 3FCJ · Nitroalkane oxidase: mutant402N crystallized with nitroethane · NIE A600 · binds VAL95, ALA96, LEU99, VAL280, PHE401, ASN402
- 4QIT · Crystal structure of Nitroalkane Oxidase from Pseudomonas aeruginosa in mutant complex… · NIE A402 · binds PHE71, PHE134, GLY182, SER183, TRP325
- 3BW3 · Crystal structures and site-directed mutagenesis study of nitroalkane oxidase from… · NIE A371 · binds ALA19, GLY20, TYR44, HIS298, ARG305, TRP320
- 3FCJ · Nitroalkane oxidase: MUTANT402N crystallized with nitroethane · NIE A600 · binds VAL95, ALA96, LEU99, VAL280, PHE401, ASN402
Residues it binds most
PHE 10, LEU 9, ALA 8, ASN 8, VAL 4, GLY 4, TRP 4, ARG 2, HIS 2, SER 2 (residue and the binding sites it lines).
Found with
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