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Ligand · 3CB

3CB · N-[(3-carboxybenzyl)sulfonyl]isoleucyl-N~1~-{4-[amino(imino)methyl]benzyl}-5-iminoornithinamide

3CB, N-[(3-carboxybenzyl)sulfonyl]isoleucyl-N~1~-{4-[amino(imino)methyl]benzyl}-5-iminoornithinamide (C27 H37 N7 O6 S, 587.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
3CB
Formula
C27 H37 N7 O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3CB in 2 structures; the first of them:

  • 1WSS · Human Factor Viia-Tissue Factor in Complex with peptide-mimetic inhibitor that has two… · 3CB H2001 · binds HIS57, ASP60, TYR94, PRO96, GLY97, THR98, THR99, ASP146 and 15 more
  • 1WSS · Human factor viia-tissue factor in complex with peptide-mimetic inhibitor that has two… · 3CB H2001 · binds HIS57, ASP60, TYR94, PRO96, GLY97, THR98, THR99, ASP146 and 15 more

Residues it binds most

GLY 2, ASP 2, SER 2, CYS 2, PRO 2, THR 2, VAL 2, GLN 2, HIS 2, LYS 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • BGC · beta-D-glucopyranose
  • FUC · alpha-L-fucopyranose

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