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Ligand · 0BU

0BU · 8-({3-[({3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonic acid

0BU, 8-({3-[({3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonic acid (C35 H26 N4 O21 S6, 1031.0 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries).…

Component
0BU
Formula
C35 H26 N4 O21 S6
Class
ligand
Structures
4
PDB entries
2

Binding sites

0BU in 4 structures; the first of them:

  • 3UPF · Crystal structure of murine norovirus RNA-dependent RNA polymerase bound to NF023 · 0BU A600 · binds TRP42, ASP65, GLN66, LYS68, PRO69, GLU168, LEU169, VAL170 and 8 more
  • 4MTZ · Structure of XIAP-BIR1 in complex with NF023 · 0BU C3102 · binds ARG62, CYS66, HIS67, SER87, PRO88, ASN89, CYS90, ARG3062 and 8 more
  • 3UPF · Crystal structure of murine norovirus RNA-dependent RNA polymerase bound to NF023 · 0BU A600 · binds TRP42, ASP65, GLN66, LYS68, PRO69, GLU168, LEU169, VAL170 and 8 more
  • 4MTZ · Structure of xiap-BIR1 in complex with NF023 · 0BU C3102 · binds ARG62, CYS66, HIS67, SER87, PRO88, ASN89, CYS90, ARG3062 and 8 more

Residues it binds most

LYS 6, ARG 10, CYS 4, PRO 10, VAL 10, ASN 4, HIS 4, SER 4, ASP 6, GLN 6 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • ZN · Zinc ion

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