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Ligand · YCL

YCL · 2-{[(2S)-1-amino-5-{[(1Z)-2-chloroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid

YCL, 2-{[(2S)-1-amino-5-{[(1Z)-2-chloroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid (C15 H19 Cl N4 O4, 354.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
YCL
Formula
C15 H19 Cl N4 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

YCL in 2 structures; the first of them:

  • 3B1T · Crystal structure of human peptidylarginine deiminase 4 in complex with o-Cl-amidine · YCL A800 · binds GLN346, TRP347, GLN349, ASP350, ARG374, GLY408, VAL469, HIS471 and 7 more
  • 3B1T · Crystal structure of human peptidylarginine deiminase 4 in complex with O-cl-amidine · YCL A800 · binds GLN346, TRP347, GLN349, ASP350, ARG374, GLY408, VAL469, HIS471 and 7 more

Residues it binds most

ARG 2, ASP 2, GLN 2, GLY 2, HIS 2, ASN 2, CYS 2, GLU 2, TRP 2, VAL 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • SO4 · Sulfate ion

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