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Ligand · ME9

ME9 · 1,1'-butane-1,4-diylbis(1H-pyrrole-2,5-dione)

ME9, 1,1'-butane-1,4-diylbis(1H-pyrrole-2,5-dione) (C12 H12 N2 O4, 248.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
ME9
Formula
C12 H12 N2 O4
Class
ligand
Structures
3
PDB entries
2

Binding sites

ME9 in 3 structures; the first of them:

  • 3QW0 · Crystal structure of the Zn-RIDC1 complex stabilized by BMB crosslinks · ME9 A501 · binds ASN80, GLU81, CYS82, ASN80, GLU81, CYS82
  • 7VRS · The complex of Acyltransferase and Acyl Carrier Protein Domains from module 9 of… · ME9 A501 · binds GLY104, GLN105, HIS189, CYS190, GLN191, VAL229, SER231, ASN259 and 5 more
  • 7VRS · The complex of acyltransferase and acyl carrier protein domains from module 9 of… · ME9 A501 · binds GLY104, GLN105, HIS189, CYS190, GLN191, VAL229, ASN259, THR265 and 2 more

Residues it binds most

ASN 6, CYS 6, GLN 4, HIS 4, THR 4, VAL 4, SER 3, GLU 2, ILE 4, GLY 3 (residue and the binding sites it lines).

Found with

  • PNS · 4'-phosphopantetheine
  • HEM · Protoporphyrin IX containing Fe
  • ZN · Zinc ion
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol

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