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Ligand · B04

B04 · D-phenylalanyl-N-[(1-methylpyridinium-2-yl)methyl]-L-prolinamide

B04, D-phenylalanyl-N-[(1-methylpyridinium-2-yl)methyl]-L-prolinamide (C21 H27 N4 O2 +1, 367.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues…

Component
B04
Formula
C21 H27 N4 O2 +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

B04 in 2 structures; the first of them:

  • 3SI4 · Human Thrombin In Complex With UBTHR104 · B04 H1 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 8 more
  • 3SI4 · Human thrombin in complex with UBTHR104 · B04 H1 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 8 more

Residues it binds most

GLU 2, GLY 2, SER 2, TRP 2, ALA 2, ASN 2, ASP 2, HIS 2, ILE 2, LEU 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • PO4 · Phosphate ion
  • GOL · Glycerol

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