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Ligand · ZID

ZID · Isonicotinic-acetyl-nicotinamide-adenine dinucleotide

ZID, Isonicotinic-acetyl-nicotinamide-adenine dinucleotide (C27 H30 N8 O15 P2, 768.5 g/mol), in the MolNFT structures on GenesisL1: bound in 14 records (7 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
ZID
Formula
C27 H30 N8 O15 P2
Class
ligand
Structures
14
PDB entries
7

Binding sites

ZID in 14 structures; the first of them:

  • 1ZID · Long fatty acid chain enoyl-acp reductase (inha) in complex with an… · ZID A300 · binds GLY14, ILE15, ILE16, THR17, SER20, ILE21, PHE41, LEU63 and 22 more
  • 2IDZ · Crystal structure of wild type Enoyl-ACP(CoA) reductase from Mycobacterium tuberculosis… · ZID A300 · binds GLY14, ILE15, ILE16, SER20, ILE21, ALA22, PHE41, LEU63 and 23 more
  • 2IE0 · Crystal Structure of Isoniazid-resistant I21V Enoyl-ACP(COA) Reductase Mutant Enzyme From… · ZID A300 · binds GLY14, ILE15, ILE16, SER20, VAL21, ALA22, PHE41, LEU63 and 22 more
  • 2IEB · Crystal Structure of Isoniazid-resistant S94A ENOYL-ACP(COA) Reductase Mutant Enzyme from… · ZID A300 · binds GLY14, ILE15, ILE16, SER20, ILE21, ALA22, PHE41, LEU63 and 23 more
  • 2NQ8 · Malarial enoyl acyl ACP reductase bound with INH-NAD adduct · ZID A550 · binds GLY104, ILE105, GLY106, ASP107, GLY110, TYR111, GLY112, TRP131 and 25 more
  • 2NV6 · Mycobacterium tuberculosis InhA (S94A) bound with INH-NAD adduct · ZID A300 · binds GLY14, ILE15, ILE16, SER20, ILE21, ALA22, PHE41, LEU63 and 22 more
  • 4TRO · Structure of the enoyl-ACP reductase of Mycobacterium tuberculosis InhA, inhibited with… · ZID A302 · binds GLY14, ILE15, ILE16, SER20, ILE21, ALA22, PHE41, LEU63 and 23 more
  • 1ZID · Long fatty acid chain enoyl-acp reductase (inha) in complex with an… · ZID A300 · binds GLY14, ILE15, ILE16, THR17, SER20, ILE21, PHE41, LEU63 and 22 more
  • 2IDZ · Crystal structure of wild type enoyl-ACP(COA) reductase from mycobacterium tuberculosis… · ZID A300 · binds GLY14, ILE15, ILE16, SER20, ILE21, ALA22, PHE41, LEU63 and 23 more
  • 2IE0 · Crystal structure of isoniazid-resistant I21V enoyl-ACP(COA) reductase mutant enzyme from… · ZID A300 · binds GLY14, ILE15, ILE16, SER20, VAL21, ALA22, PHE41, LEU63 and 22 more
  • 2IEB · Crystal structure of isoniazid-resistant S94A enoyl-ACP(COA) reductase mutant enzyme from… · ZID A300 · binds GLY14, ILE15, ILE16, SER20, ILE21, ALA22, PHE41, LEU63 and 23 more
  • 2NQ8 · Malarial enoyl acyl acp reductase bound with inh-NAD adduct · ZID A550 · binds GLY104, ILE105, GLY106, ASP107, GLY110, TYR111, GLY112, TRP131 and 25 more
  • 2NV6 · Mycobacterium tuberculosis inha (S94A) bound with inh-NAD adduct · ZID A300 · binds GLY14, ILE15, ILE16, SER20, ILE21, ALA22, PHE41, LEU63 and 22 more
  • 4TRO · Structure of the enoyl-acp reductase of mycobacterium tuberculosis inha, inhibited with… · ZID A302 · binds GLY14, ILE15, ILE16, SER20, ILE21, ALA22, PHE41, LEU63 and 23 more

Residues it binds most

ILE 16, GLY 16, ALA 16, MET 12, PHE 16, LEU 16, ASP 16, SER 16, TYR 16, LYS 16 (residue and the binding sites it lines).

Found with

  • NAD · Nicotinamide-adenine-dinucleotide
  • NA · Sodium ion
  • DMS · Dimethyl sulfoxide
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

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